SCHEMBL2298713

SCHEMBL2298713

COC(=O)CC(N)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.56
PDE4D Q08499 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6954924 1.00 KCNA5 (0.56) KCNA5PDE4DALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL15146071 0.98 KCNA5 (0.55) KCNA5PDE4DALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL6947507 0.98 KCNA5 (0.55) KCNA5PDE4DALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL6954054 0.98 KCNA5 (0.55) KCNA5PDE4DALDH1A1LMNAKDM4E
Cadaverine Tartrate SCHEMBL27569553 0.92 KCNA5 (0.51) KCNA5PDE4DLMNAKDM4ESMN1; SMN2
SCHEMBL1294805 0.85 LMNA (0.43) KCNA5PDE4DLMNAMEN1KMT2A
SCHEMBL1294809 0.85 LMNA (0.43) KCNA5PDE4DLMNAMEN1KMT2A
SCHEMBL7130315 0.85 LMNA (0.43) KCNA5PDE4DLMNAMEN1KMT2A
SCHEMBL25564133 0.85 KCNA5 (0.54) KCNA5PDE4DLMNAKDM4ESMN1; SMN2
SCHEMBL16178281 0.84 LMNA (0.42) KCNA5PDE4DLMNASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021147699-A1 PYRIDOHETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-07-29 WO disclosed
CN-103906743-A Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA 2014-07-02 CN disclosed
EP-1988078-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2012-10-17 EP disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
EP-1988078-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2008-11-05 EP disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
EP-1165543-A1 PROCESS FOR PREPARING S-(R*,S*)] -$g(b) - 1- 1-OXO-3- (4-PIPERIDINYL) PROPYL] -3-PIPERIDINYL] CARBONYL] AMINO] -3- PYRIDINEPROPANOIC ACID AND DERIVATIVES Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-01-02 EP disclosed
CN-1320125-A Trizolopyridines for the treamtent of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2001-10-31 CN disclosed
CN-1286684-A Carboxamide derivs. of pyrrolidine, piperidine and hexahydroazepine for treatment of thrombosis disorders ORTHO PHARMA CORP (US) 2001-03-07 CN disclosed
WO-2000056730-A1 PROCESS FOR PREPARING [S-(R*,S*)] -β -[[[1-[1-OXO-3- (4-PIPERIDINYL) PROPYL] -3-PIPERIDINYL] CARBONYL] AMINO] -3- PYRIDINEPROPANOIC ACID AND DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-09-28 WO disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
EP-0923555-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-06-23 EP disclosed
WO-1997041102-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-06 WO disclosed
EP-0355819-B1 Substituted aryl ureas as high potency sweeteners NUTRASWEET CO (US) 1994-01-05 EP disclosed
WO-1990002112-A1 SUBSTITUTED ARYL UREAS AS HIGH POTENCY SWEETENERS THE NUTRASWEET COMPANY (US) 1990-03-08 WO disclosed
EP-0355819-A1 Substituted aryl ureas as high potency sweeteners THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1990-02-28 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 (1 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-20090149528-A1 Cinnamic acid amides PIGS, NISCH, PIGO KCNA5 1557/4885PDE4D 3461/4885ALDH1A1 262/4885

“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.