SCHEMBL3208516

SCHEMBL3208516

O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc2c(s1)CC(C(F)(F)F)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
LIPG Q9Y5X9 3/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37

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
SCHEMBL3205172 0.85 LMNA (0.52) TRPV1RAB9AALDH1A1KDM4ELMNA
SCHEMBL3208865 0.83 RAB9A (0.50) TRPV1RAB9AALDH1A1KDM4ELMNA
SCHEMBL1397791 0.79 CYP1A2 (0.40) CYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL3211372 0.79 ALDH1A1 (0.62) RAB9AALDH1A1KDM4ELMNANPC1
SCHEMBL3211093 0.78 RAB9A (0.57) TRPV1RAB9AALDH1A1LMNALIPG
SCHEMBL3201412 0.75 LIPG (0.44) TRPV1RAB9AALDH1A1KDM4ELIPG
SCHEMBL3194445 0.74 LIPG (0.44) TRPV1RAB9AALDH1A1KDM4ELMNA
SCHEMBL1397414 0.67 NAMPT (0.67) TRPV1RAB9APOLBBLMPLAAT3
SCHEMBL1397697 0.67
SCHEMBL184041 0.66 TRPV1 (0.59) TRPV1LMNALIPGCYP1A2CYP2C19

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 TRPV1 3410/4885RAB9A 317/4885ALDH1A1 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.