SCHEMBL3211093

SCHEMBL3211093

CCC1CCc2sc(C(=O)NCCc3ccc(Cl)c(Cl)c3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 5/20 0.57
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
GPR55 Q9Y2T6 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL3208865 0.92 RAB9A (0.50) RAB9ANPC1ALDH1A1LMNALIPG
SCHEMBL3211372 0.88 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1LMNAMEN1
SCHEMBL3205172 0.82 LMNA (0.52) RAB9ANPC1ALDH1A1LMNAMEN1
SCHEMBL3194445 0.79 LIPG (0.44) RAB9ANPC1ALDH1A1LMNALIPG
SCHEMBL1397632 0.79 SIGMAR1 (0.41) RAB9ANPC1GPR55CYP1A2CYP2C9
SCHEMBL3208516 0.78 TRPV1 (0.45) RAB9ANPC1ALDH1A1LMNAMEN1
SCHEMBL3201412 0.76 LIPG (0.44) RAB9ANPC1ALDH1A1LIPGCNR1
SCHEMBL3347584 0.72 TBXAS1 (0.59) RAB9ANPC1ALDH1A1GPR55MEN1
SCHEMBL1397673 0.71 SIGMAR1 (0.41) L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL20787907 0.68 NPC1 (0.56) RAB9ANPC1ALDH1A1LMNAGPR55

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 RAB9A 317/4885NPC1 115/4885ALDH1A1 1248/4885

“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.