SCHEMBL1397602

SCHEMBL1397602

CC1(C)CCc2sc(CNCCc3ccc(Cl)c(Cl)c3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 2/20 0.41
NR1I3 Q14994 5/20 0.38
CYP3A4 P08684 1/20 0.37
ROCK1 Q13464 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL1397622 0.92 SIGMAR1 (0.41) SIGMAR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL1397560 0.84 L3MBTL1 (0.43) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1397593 0.79 ALDH1A1 (0.42) SIGMAR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL1397591 0.79 KDM4E (0.43) SIGMAR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL1397804 0.78 NR1I3 (0.40) SIGMAR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL3194445 0.78 LIPG (0.44) CYP2C9CYP2C19CYP1A2
SCHEMBL1397632 0.78 SIGMAR1 (0.41) SIGMAR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL1397548 0.77 SIGMAR1 (0.41) SIGMAR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL1397578 0.76 L3MBTL1 (0.42) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1397673 0.75 SIGMAR1 (0.41) SIGMAR1CYP2D6CYP2C9CYP2C19CYP1A2

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 6 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
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
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 SIGMAR1 485/4885CYP2D6 7/4885CYP2C9 2/4885

“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.