SCHEMBL24259321

SCHEMBL24259321

C=C(CCF)C(=O)N(CCCCCC(=O)NC1CC1)c1cccc(-c2ccnc(OC)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FASN P49327 1/20 0.37
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL24259277 0.89 NR1H4 (0.40) NR1H4CNR1
SCHEMBL24452475 0.83 NR1H4 (0.52) NR1H4BCHEACHEMEN1KMT2A
SCHEMBL24258829 0.82 NR1H4 (0.41) NR1H4CNR1
SCHEMBL24259043 0.80 NR1H4 (0.38) NR1H4CNR1
SCHEMBL24258769 0.79 NR1H4 (0.46) NR1H4CNR2
SCHEMBL24259337 0.75 PLCG1 (0.40) NR1H4CNR1
SCHEMBL22352734 0.74 NR1H4 (0.55) NR1H4
SCHEMBL22352732 0.73 NR1H4 (0.54) NR1H4
SCHEMBL24452388 0.72 NR1H4 (0.55) NR1H4
SCHEMBL24259105 0.71 NR1H4 (0.42) 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 2/4885BCHE 2874/4885ACHE 4511/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885BCHE 2874/4885ACHE 4511/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885BCHE 2874/4885ACHE 4511/4885

“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.