SCHEMBL3336111

SCHEMBL3336111

CCCCOC(=O)N1CCN(C(=O)[C@H](Cc2c[nH]nn2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.46
HRH1 P35367 6/20 0.46
P2RY12 Q9H244 12/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL3336118 1.00 HRH2 (0.46) HRH2HRH1P2RY12MEN1POLB
SCHEMBL523557 0.81 HRH2 (0.59) HRH2HRH1P2RY12KMT2A
SCHEMBL523558 0.81 HRH2 (0.59) HRH2HRH1P2RY12KMT2A
SCHEMBL524045 0.81 HRH2 (0.50) HRH2HRH1P2RY12POLB
SCHEMBL524046 0.81 HRH2 (0.50) HRH2HRH1P2RY12POLB
SCHEMBL523726 0.80 CTSK (0.50) HRH2HRH1P2RY12POLB
SCHEMBL523727 0.80 CTSK (0.50) HRH2HRH1P2RY12POLB
SCHEMBL316794 0.80 HRH2 (0.57) HRH2HRH1P2RY12POLB
SCHEMBL523554 0.80 HRH2 (0.49) HRH2HRH1P2RY12POLB
SCHEMBL316793 0.80 HRH2 (0.57) HRH2HRH1P2RY12POLB

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 HRH2 48/4885HRH1 92/4885P2RY12 1/4885

“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.