SCHEMBL1397457

SCHEMBL1397457

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1cc2c(s1)CC(C)(C)CC2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.32
NLRP3 Q96P20 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CHRNA7 P36544 1/20 0.31
NR3C1 P04150 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
AKT3 Q9Y243 1/20 0.30

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
SCHEMBL1397692 0.95 NLRP3 (0.31) C5AR1NLRP3CHRNA7NR3C1FFAR4
SCHEMBL1397661 0.87 SLC34A2 (0.33)
SCHEMBL1397368 0.86 SIGMAR1 (0.31)
SCHEMBL1397372 0.82 CNR1 (0.33)
SCHEMBL1397763 0.81 C5AR1 (0.32) C5AR1FFAR4
SCHEMBL3579477 0.74 MCHR1 (0.37) C5AR1NLRP3CHRNA7
SCHEMBL3574217 0.73 MCHR1 (0.37) C5AR1NLRP3CHRNA7
SCHEMBL3577424 0.73 NLRP3 (0.39) C5AR1NLRP3PPARGPPARACHRNA7
SCHEMBL1397699 0.72 C5AR1 (0.31) C5AR1
SCHEMBL20768058 0.70 UTS2R (0.33) C5AR1PPARGPPARA

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 3 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
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 C5AR1 2382/4885NLRP3 1203/4885PPARG 284/4885

“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.