SCHEMBL694524

SCHEMBL694524

CCOC(=O)N1CCN(C(=O)CN)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
POLB P06746 2/20 0.67
HTT P42858 1/20 0.67
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.53
GAA P10253 2/20 0.53
RECQL P46063 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABL1 P00519 1/20 0.49

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
SCHEMBL10985089 0.85 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL1684895 0.85
SCHEMBL523279 0.84 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL12847186 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL14902195 0.82 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL8488026 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL22814152 0.80
SCHEMBL5543470 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL9275299 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL5400649 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US disclosed
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
EP-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP disclosed
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
WO-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 WO disclosed
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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 (7 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-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885SMN1; SMN2 4279/4885POLB 1491/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885SMN1; SMN2 4279/4885POLB 1491/4885
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 617/4885SMN1; SMN2 3623/4885POLB 4348/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 ALDH1A1 1522/4885SMN1; SMN2 3392/4885POLB 2315/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 614/4885SMN1; SMN2 3642/4885POLB 4457/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 ALDH1A1 817/4885SMN1; SMN2 3527/4885POLB 1954/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B ALDH1A1 585/4885SMN1; SMN2 4038/4885POLB 1388/4885

“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.