SCHEMBL317073

SCHEMBL317073

CCOC(=O)N1CCN(C(=O)[C@@H](N)CCC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
TSHR P16473 2/20 0.42
GAA P10253 4/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RY12 Q9H244 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL317074 1.00 DPP4 (0.44) DPP4DPP8TSHRGAAALDH1A1
SCHEMBL1143510 0.92 TSHR (0.40) DPP4DPP8TSHRGAAALDH1A1
SCHEMBL1143508 0.92 TSHR (0.40) DPP4DPP8TSHRGAAALDH1A1
SCHEMBL956438 0.91 P2RY12 (0.41) DPP4DPP8P2RY12MEN1KMT2A
SCHEMBL956440 0.91 P2RY12 (0.41) DPP4DPP8P2RY12MEN1KMT2A
SCHEMBL693694 0.89 P2RY12 (0.46) P2RY12POLBSMN1; SMN2
SCHEMBL694227 0.89 P2RY12 (0.46) P2RY12POLBSMN1; SMN2
SCHEMBL952606 0.86 TSHR (0.44) TSHRGAAALDH1A1KDM4EPOLB
SCHEMBL952605 0.86 TSHR (0.44) TSHRGAAALDH1A1KDM4EPOLB
Acetic Acid SCHEMBL317606 0.86 P2RY12 (0.47) P2RY12POLBSMN1; 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-8598179-B2 Pyrazole-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2013-12-03 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
EP-2238127-B1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-15 EP disclosed
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
EP-2079711-A2 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
WO-2009080227-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
WO-2008050301-A2 2- PHENYL- 6-AMINOCARBONYL- PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-05-02 WO disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 WO disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 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 (3 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-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 DPP4 287/4885DPP8 576/4885TSHR 197/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 DPP4 184/4885DPP8 349/4885TSHR 1238/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 DPP4 313/4885DPP8 561/4885TSHR 197/4885

“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.