SCHEMBL3201412

SCHEMBL3201412

CC1(C)CCc2cc(C(=O)NCCc3ccc(Cl)c(Cl)c3)sc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
ROS1 P08922 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
FLT4 P35916 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40

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
SCHEMBL3194445 0.93 LIPG (0.44) LIPGALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3215343 0.81 LIPG (0.43) LIPGTRPV1SMN1; SMN2CNR1PLAAT3
SCHEMBL3205172 0.80 LMNA (0.52) LIPGALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3208865 0.78 RAB9A (0.50) LIPGALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1397622 0.78 SIGMAR1 (0.41) CYP1A2CYP2C9CYP2C19
SCHEMBL3211372 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL3211093 0.76 RAB9A (0.57) LIPGALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3208516 0.75 TRPV1 (0.45) LIPGALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1397414 0.71 NAMPT (0.67) TRPV1USP2POLBBLMNAMPT
SCHEMBL3194284 0.71 MAPT (0.54) LIPGTRPV1USP2SMN1; SMN2PLK4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US claimed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US 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-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 LIPG 2056/4885ALDH1A1 1248/4885CYP1A2 8/4885

“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.