SCHEMBL3333656

SCHEMBL3333656

COC(=O)c1cc(OCC(=O)N2CCCC2C#N)c2ccc(C)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 10/20 0.55
▸ P2RY12 Q9H244 9/20 0.47
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43

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
SCHEMBL3333647 1.00 PREP (0.55) PREPP2RY12DPP4DPP8
SCHEMBL3337859 0.91 PREP (0.56) PREPP2RY12DPP4DPP8
SCHEMBL3337851 0.91 PREP (0.56) PREPP2RY12DPP4DPP8
SCHEMBL3327709 0.79 P2RY12 (0.64) PREPP2RY12
SCHEMBL3327704 0.79 P2RY12 (0.64) PREPP2RY12
SCHEMBL3332296 0.79 P2RY12 (0.44) P2RY12
SCHEMBL3330757 0.78 P2RY12 (0.44) P2RY12
SCHEMBL3330765 0.78 P2RY12 (0.44) P2RY12
SCHEMBL3330164 0.76 KDM4E (0.56) P2RY12
SCHEMBL3331051 0.76 P2RY12 (0.68) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 — — US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 — — US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 — — EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 — — 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 PREP 1800/4885P2RY12 1/4885DPP4 2699/4885

“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.

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