SCHEMBL24259291

SCHEMBL24259291

C=CC(CCCc1cc(C(F)(F)F)ccn1)CN(C(=O)C(=C)CCF)c1cccc(-c2ccc(NS(C)(=O)=O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.46
CYP2D6 P10635 3/20 0.36
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
KIF11 P52732 2/20 0.35
CTPS1 P17812 1/20 0.34
CYP3A4 P08684 2/20 0.34
SUCNR1 Q9BXA5 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL24259145 0.85 NR1H4 (0.43) NR1H4SUCNR1
SCHEMBL24259503 0.80 NR1H4 (0.43) NR1H4PSEN1SUCNR1
SCHEMBL25993555 0.69 NR1H4 (0.48) NR1H4
SCHEMBL24259140 0.69 NR1H4 (0.39) NR1H4
SCHEMBL24259083 0.68 NR1H4 (0.46) NR1H4
SCHEMBL24259369 0.68 CTPS1 (0.43) NR1H4CYP2D6PSEN1PSEN2APH1B
SCHEMBL24258731 0.68 FAAH (0.37) NR1H4CYP2D6PSEN1PSEN2APH1B
SCHEMBL24259123 0.66 NR1H4 (0.39) NR1H4
SCHEMBL24258818 0.66 NR1H4 (0.44) NR1H4
SCHEMBL25993492 0.64 NR1H4 (0.50) NR1H4

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 2/4885CYP2D6 1210/4885PSEN1 1401/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885CYP2D6 1210/4885PSEN1 1401/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885CYP2D6 1210/4885PSEN1 1401/4885

“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.