SCHEMBL1397692

SCHEMBL1397692

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1cc2c(s1)CCC(C)(C)C2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.31
CHRNA7 P36544 1/20 0.31
C5AR1 P21730 1/20 0.31
NR3C1 P04150 1/20 0.31
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
SCHEMBL1397457 0.95 C5AR1 (0.32) NLRP3CHRNA7C5AR1NR3C1FFAR4
SCHEMBL1397368 0.91 SIGMAR1 (0.31)
SCHEMBL1397372 0.87 CNR1 (0.33)
SCHEMBL1397661 0.82 SLC34A2 (0.33)
SCHEMBL1397763 0.75 C5AR1 (0.32) C5AR1FFAR4
SCHEMBL3579477 0.75 MCHR1 (0.37) NLRP3CHRNA7C5AR1
SCHEMBL1397708 0.74
SCHEMBL3574217 0.74 MCHR1 (0.37) NLRP3CHRNA7C5AR1
SCHEMBL3577424 0.73 NLRP3 (0.39) NLRP3CHRNA7C5AR1
SCHEMBL1397397 0.73 C5AR1 (0.31) C5AR1

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 NLRP3 1203/4885CHRNA7 3596/4885C5AR1 2382/4885

“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.