SCHEMBL3330737

SCHEMBL3330737

CCOC(=O)c1cc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 12/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PRNP P04156 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL3332669 0.90 P2RY12 (0.45) P2RY12SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL3329167 0.84 LMNA (0.42) P2RY12SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL3334885 0.79 KDM4E (0.55) P2RY12SMN1; SMN2KDM4EALDH1A1
SCHEMBL3329326 0.78 P2RY12 (0.63) P2RY12
SCHEMBL3329322 0.78 P2RY12 (0.63) P2RY12
SCHEMBL3331602 0.76 P2RY12 (0.66) P2RY12
SCHEMBL5637821 0.76 IDE (0.60) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3335003 0.75 P2RY12 (0.65) P2RY12
SCHEMBL3335009 0.75 P2RY12 (0.65) P2RY12
SCHEMBL3332296 0.74 P2RY12 (0.44) P2RY12SMN1; SMN2TSHRMEN1KMT2A

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 P2RY12 1/4885SMN1; SMN2 4406/4885TSHR 916/4885

“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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