SCHEMBL3333984

SCHEMBL3333984

CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC1CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.49
EPHX1 P07099 2/20 0.45
BTK Q06187 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SCN4A P35499 1/20 0.41
HTRA1 Q92743 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL957407 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6507027 0.96 ALDH1A1 (0.54) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6321928 0.95 POLB (0.55) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7125825 0.95 POLB (0.55) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8253548 0.95 POLB (0.55) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL24441127 0.82 POLB (0.58) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL29044252 0.82 POLB (0.58) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL29044251 0.82 POLB (0.58) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6319198 0.81 POLB (0.57) POLBCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8907775 0.81 POLB (0.57) POLBCYP1A2CYP3A4CYP2C19ALDH1A1

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 POLB 1874/4885CYP1A2 1343/4885CYP3A4 2604/4885

“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.