SCHEMBL24259315

SCHEMBL24259315

CC(C)(F)c1nc(CCCCCN(C(=O)OC2CCC(F)(F)CC2)c2cc(-c3ccc(OC(F)F)cc3)c(F)cn2)no1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.37
TRPA1 O75762 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
DAGLA Q9Y4D2 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30
DAGLB Q8NCG7 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
SCHEMBL22354337 0.93 NR1H4 (0.36) NR1H4TRPA1FFAR4
SCHEMBL22354210 0.86
SCHEMBL24259441 0.85
SCHEMBL22354328 0.83 NR1H4 (0.54) NR1H4CYP2C9CYP2C19
SCHEMBL24259658 0.78
SCHEMBL22354334 0.77 NR1H4 (0.55) NR1H4CYP2C9CYP2C19KCNH2
SCHEMBL22354317 0.74 HDAC1 (0.35) NR1H4CYP2C9CYP2C19KCNH2
SCHEMBL29531839 0.74 NR1H4 (0.60) NR1H4CYP2C9CYP2C19KCNH2
SCHEMBL22354341 0.74 NR1H4 (0.60) NR1H4CYP2C9CYP2C19KCNH2
SCHEMBL24259630 0.73

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
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NR1H4 2/4885TRPA1 701/4885FFAR4 72/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885TRPA1 701/4885FFAR4 72/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885TRPA1 701/4885FFAR4 72/4885

“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.