SCHEMBL4124480

SCHEMBL4124480

COC(=O)C1CC(O)CN1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MMP2 P08253 4/20 0.47
ANPEP P15144 3/20 0.47
CYP3A4 P08684 5/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.38
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2608457 1.00 ALDH1A1 (0.50) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL10293326 1.00 ALDH1A1 (0.50) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL12860969 1.00 ALDH1A1 (0.50) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL16588393 1.00 ALDH1A1 (0.50) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL13403386 1.00 ALDH1A1 (0.50) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL2691242 1.00 ALDH1A1 (0.50) ALDH1A1MMP2ANPEPCYP3A4MAPT
Hydrochloric Acid SCHEMBL30514269 0.98 ALDH1A1 (0.49) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL4071810 0.84 PEPD (0.44) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL12860964 0.84 PEPD (0.44) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL12225959 0.84 PEPD (0.44) ALDH1A1MMP2ANPEPCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024119277-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-06-13 WO disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
WO-2023089074-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR A SYSTEMIC TREATMENT OF DISEASES AND CONDITIONS Samsara Therapeutics Inc. (US) 2023-05-25 WO disclosed
EP-4183449-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2023-05-24 EP disclosed
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-31 US disclosed
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-10-05 US disclosed
US-9717736-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-01 US disclosed
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2016-08-04 US disclosed
EP-1611094-B1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-20 EP disclosed
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
WO-2006078752-A2 INHIBITORS OF DNA METHYLTRANSFERASE METHYLGENE, INC. (CA) 2006-07-27 WO disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO 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 (6 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885MMP2 1809/4885ANPEP 2780/4885
US-20070010531-A1 Substituted pyrazole compounds HTR3A, HTR1A, HTR1D ALDH1A1 897/4885MMP2 4027/4885ANPEP 3785/4885
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR ALDH1A1 1475/4885MMP2 4166/4885ANPEP 3029/4885
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 343/4885MMP2 2633/4885ANPEP 762/4885
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MTOR, RICTOR, RPTOR ALDH1A1 1475/4885MMP2 4166/4885ANPEP 3029/4885
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A ALDH1A1 1336/4885MMP2 4698/4885ANPEP 4023/4885

“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.