SCHEMBL951463

SCHEMBL951463

CCCCOC(=O)N1CCN(C(=O)[C@@H](N)CCCCOCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 4/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP4 P27487 1/20 0.46
DPP9 Q86TI2 1/20 0.46
P2RY12 Q9H244 10/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GAA P10253 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL951464 1.00 DPP7 (0.46) DPP7DPP8DPP4DPP9P2RY12
SCHEMBL3332045 0.94 P2RY12 (0.46) DPP7DPP8DPP4DPP9P2RY12
SCHEMBL3332041 0.94 P2RY12 (0.46) DPP7DPP8DPP4DPP9P2RY12
SCHEMBL954599 0.93 TSHR (0.52) DPP7DPP8DPP4DPP9ALDH1A1
SCHEMBL954600 0.93 TSHR (0.52) DPP7DPP8DPP4DPP9ALDH1A1
Trifluoroacetic Acid SCHEMBL3330622 0.88 P2RY12 (0.42) DPP7DPP8P2RY12ALDH1A1CYP1A2
SCHEMBL3332321 0.85 TSHR (0.55) DPP7ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3332323 0.85 TSHR (0.55) DPP7ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL524012 0.84 HDAC8 (0.52) P2RY12ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL524011 0.84 HDAC8 (0.52) P2RY12ALDH1A1CYP1A2POLBCYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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 (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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 DPP7 2307/4885DPP8 1720/4885DPP4 1890/4885

“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.