SCHEMBL8258796

SCHEMBL8258796

CC(C)(C)N1CCCC(C(N)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.43
ATM Q13315 2/20 0.42
HSD17B10 Q99714 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10205014 0.89 SMN1; SMN2 (0.46) ALDH1A1MAPK1BCHELMNAKMT2A
SCHEMBL13212941 0.89 SMN1; SMN2 (0.46) ALDH1A1MAPK1BCHELMNAKMT2A
SCHEMBL13212940 0.89 SMN1; SMN2 (0.46) ALDH1A1MAPK1BCHELMNAKMT2A
SCHEMBL11923163 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1BCHELMNAKMT2A
SCHEMBL12102748 0.83 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AHSD17B10SMN1; SMN2
SCHEMBL21042943 0.83 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AHSD17B10SMN1; SMN2
SCHEMBL4971987 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1BCHELMNAKMT2A
SCHEMBL2606791 0.83 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AHSD17B10SMN1; SMN2
SCHEMBL13515717 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1BCHELMNAKMT2A
Hydrochloric Acid SCHEMBL21612902 0.81 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AHSD17B10SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-20220315568-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. 2022-10-06 US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
EP-2141167-A1 Process for synthesizing carbapenem using raney nickel ACS DOBFAR S.p.A. (IT) 2010-01-06 EP disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-04-17 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-7329752-B2 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-02-12 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2007-05-24 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 ALDH1A1 3960/4885MAPK1 3803/4885BCHE 2189/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 ALDH1A1 3710/4885MAPK1 4482/4885BCHE 3115/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885MAPK1 4/4885BCHE 4544/4885
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B ALDH1A1 2518/4885MAPK1 2432/4885BCHE 863/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885MAPK1 4/4885BCHE 4544/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885MAPK1 4563/4885BCHE 2464/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ALDH1A1 3225/4885MAPK1 2194/4885BCHE 2359/4885
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B ALDH1A1 2518/4885MAPK1 2432/4885BCHE 863/4885
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS LIPA, SGMS1, SGMS2 ALDH1A1 331/4885MAPK1 4677/4885BCHE 1114/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885MAPK1 4607/4885BCHE 2612/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885MAPK1 4607/4885BCHE 2612/4885
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease CFTR, ABCB4, ABCF2 ALDH1A1 4147/4885MAPK1 4556/4885BCHE 2832/4885
US-20220315568-A1 INHIBITORS OF SARM1 SARM1, SMN1; SMN2, SARNP ALDH1A1 4157/4885MAPK1 1113/4885BCHE 2539/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS ALDH1A1 3448/4885MAPK1 477/4885BCHE 4632/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885MAPK1 477/4885BCHE 4632/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.