SCHEMBL3330757

SCHEMBL3330757

COC(=O)c1cc(OCC(=O)N2CC[C@@H](O)C2)c2ccc(C)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 11/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL3330765 1.00 P2RY12 (0.44) P2RY12RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3335111 0.90 P2RY12 (0.45) P2RY12RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3335101 0.90 P2RY12 (0.45) P2RY12RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3332296 0.87 P2RY12 (0.44) P2RY12RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3328987 0.82 IRAK4 (0.41) P2RY12RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3330164 0.79 KDM4E (0.56) P2RY12
SCHEMBL3330141 0.79 P2RY12 (0.58) P2RY12
SCHEMBL3330138 0.79 P2RY12 (0.58) P2RY12
SCHEMBL3331453 0.79 P2RY12 (0.58) P2RY12
SCHEMBL3331125 0.78 SMN1; SMN2 (0.44) P2RY12RAB9ASMN1; SMN2KMT2AMEN1

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 1/4885RAB9A 1159/4885SMN1; SMN2 4406/4885

“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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