SCHEMBL6608940

SCHEMBL6608940

CCC(=O)N(C)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
FAAH O00519 1/20 0.45
PHGDH O43175 1/20 0.45
MGLL Q99685 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
NPBWR1 P48145 1/20 0.44
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6392070 0.98 ALDH1A1 (0.55) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL11892671 0.96 ALDH1A1 (0.52) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL14712982 0.89
SCHEMBL7129642 0.84 ALDH1A1 (0.59) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL10723835 0.84 ALDH1A1 (0.59) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL3363066 0.83 ALDH1A1 (0.54) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL5143781 0.83 ALDH1A1 (0.58) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL5143783 0.83 ALDH1A1 (0.58) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL10453317 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPSR1FAAH
SCHEMBL13744934 0.81 ALDH1A1 (0.40) ALDH1A1SIGMAR1KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US disclosed
US-20230286902-A1 LIPID NANOPARTICLE COMPOSITION Suzhou Abogen Biosciences Co., Ltd. (CN) 2023-09-14 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS GB005 INC (US) 2020-12-10 US disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
CN-109055031-A A kind of automatic dish-washing machine special purpose detergent composition with resistive connection film and spotting effect 广州立白企业集团有限公司 2018-12-21 CN disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
CN-101035772-A 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN disclosed
CN-101035770-A Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
EP-1444201-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-11 EP disclosed
WO-2003043981-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-30 WO disclosed
EP-0159254-A1 Derivatives of omega-mercaptopropanamide and their salts, their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1985-10-23 EP 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 (8 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-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G ALDH1A1 756/4885SIGMAR1 3109/4885KMT2A 3232/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885SIGMAR1 1921/4885KMT2A 968/4885
US-20230286902-A1 LIPID NANOPARTICLE COMPOSITION CETP, NPC1, LCAT ALDH1A1 4587/4885SIGMAR1 3838/4885KMT2A 2694/4885
US-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS BMX, TEC, BTK ALDH1A1 3662/4885SIGMAR1 4067/4885KMT2A 2612/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885SIGMAR1 2071/4885KMT2A 1561/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885SIGMAR1 1250/4885KMT2A 646/4885
US-20070208064-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 ALDH1A1 3706/4885SIGMAR1 2986/4885KMT2A 3236/4885
US-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 ALDH1A1 2418/4885SIGMAR1 4063/4885KMT2A 1729/4885

“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.