SCHEMBL3330120

SCHEMBL3330120

CCCCOC(=O)N1CCN(C(=O)[C@H](CCOCc2ccccc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.50
PPARA Q07869 1/20 0.49
P2RX7 Q99572 6/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL3330129 1.00 P2RY12 (0.50) P2RY12PPARAP2RX7BCHEACHE
SCHEMBL954449 0.93 PPARA (0.53) P2RY12PPARAP2RX7
SCHEMBL954450 0.93 PPARA (0.53) P2RY12PPARAP2RX7
SCHEMBL523557 0.88 HRH2 (0.59) P2RY12P2RX7HRH2HRH1
SCHEMBL523558 0.88 HRH2 (0.59) P2RY12P2RX7HRH2HRH1
SCHEMBL317464 0.86 P2RY12 (0.59) P2RY12P2RX7
SCHEMBL317465 0.86 P2RY12 (0.59) P2RY12P2RX7
SCHEMBL523554 0.84 HRH2 (0.49) P2RY12HRH2HRH1
SCHEMBL523727 0.84 CTSK (0.50) P2RY12HRH2HRH1
SCHEMBL523726 0.84 CTSK (0.50) P2RY12HRH2HRH1

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 1/4885PPARA 750/4885P2RX7 15/4885

“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.