SCHEMBL3332041

SCHEMBL3332041

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 2/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
GAA P10253 1/20 0.45
DPP7 Q9UHL4 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP8 Q6V1X1 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL3332045 1.00 P2RY12 (0.46) P2RY12ALDH1A1CYP1A2POLBCYP2C9
Trifluoroacetic Acid SCHEMBL3330622 0.94 P2RY12 (0.42) P2RY12ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL951464 0.94 DPP7 (0.46) P2RY12ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL951463 0.94 DPP7 (0.46) P2RY12ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3332323 0.91 TSHR (0.55) ALDH1A1CYP1A2POLBCYP2C9TSHR
SCHEMBL3332321 0.91 TSHR (0.55) ALDH1A1CYP1A2POLBCYP2C9TSHR
SCHEMBL954600 0.86 TSHR (0.52) ALDH1A1CYP1A2POLBCYP2C9TSHR
SCHEMBL954599 0.86 TSHR (0.52) ALDH1A1CYP1A2POLBCYP2C9TSHR
SCHEMBL524012 0.85 HDAC8 (0.52) P2RY12ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL524011 0.85 HDAC8 (0.52) P2RY12ALDH1A1CYP1A2POLBCYP2C9

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 1/4885ALDH1A1 2297/4885CYP1A2 1343/4885

“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.