SCHEMBL950858

SCHEMBL950858

NC(CCCCOCc1ccccc1)C(=O)N1CCN(C(=O)OC2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.52
F2 P00734 2/20 0.52
DPP7 Q9UHL4 9/20 0.49
TPSAB1 Q15661 6/20 0.46
TPSD1 Q9BZJ3 6/20 0.46
TPSG1 Q9NRR2 6/20 0.46
DPP8 Q6V1X1 4/20 0.44
DPP9 Q86TI2 3/20 0.43
DPP4 P27487 3/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
TEAD3 Q99594 1/20 0.42
KCNH2 Q12809 1/20 0.42
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL950857 1.00 PRSS1 (0.52) PRSS1F2DPP7TPSAB1TPSD1
SCHEMBL954600 0.84 TSHR (0.52) DPP7DPP8DPP9DPP4TEAD3
SCHEMBL954599 0.84 TSHR (0.52) DPP7DPP8DPP9DPP4TEAD3
SCHEMBL951464 0.82 DPP7 (0.46) DPP7DPP8DPP9DPP4HRH2
SCHEMBL951463 0.82 DPP7 (0.46) DPP7DPP8DPP9DPP4HRH2
SCHEMBL951709 0.77 PRSS1 (0.43) PRSS1F2DPP7TPSAB1TPSD1
SCHEMBL951711 0.77 PRCP (0.48) PRSS1F2P2RY12
SCHEMBL951712 0.77 PRCP (0.48) PRSS1F2P2RY12
SCHEMBL3332321 0.76 TSHR (0.55) DPP7
SCHEMBL3332323 0.76 TSHR (0.55) DPP7

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 PRSS1 1721/4885F2 70/4885DPP7 2307/4885

“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.