SCHEMBL1397656

SCHEMBL1397656

CNc1ncc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.39
CNR1 P21554 1/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
CCR1 P32246 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
RAF1 P04049 1/20 0.34
NAMPT P43490 1/20 0.34
NR3C2 P08235 1/20 0.34
C5AR1 P21730 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL3570653 0.91 CNR1 (0.39) CETPCNR1LMNAHPGDSLC2A1
SCHEMBL1397777 0.89 LMNA (0.40) CETPCNR1LMNAHPGDSLC2A1
SCHEMBL3570789 0.88 CNR1 (0.39) CNR1LMNAHPGDSLC2A1HDAC1
SCHEMBL3581186 0.88 CNR1 (0.39) CNR1LMNAHPGDSLC2A1HDAC1
SCHEMBL3582301 0.87 NAMPT (0.40) CETPCNR1LMNAHPGDSLC2A1
SCHEMBL3583456 0.87 CNR1 (0.38) CNR1LMNAHPGDSLC2A1HDAC1
SCHEMBL1397542 0.87 OPRM1 (0.35) HPGDRAF1C5AR1MEN1CYP1A2
SCHEMBL3575233 0.86 SLC2A1 (0.42) CETPCNR1LMNAHPGDSLC2A1
SCHEMBL1397780 0.85 CETP (0.37) CETPCNR1LMNAHPGDSLC2A1
SCHEMBL1397590 0.85 HCRTR1 (0.40) CETPCNR1LMNAHPGDSLC2A1

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
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 CETP 724/4885CNR1 429/4885LMNA 1780/4885

“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.