SCHEMBL24258816

SCHEMBL24258816

C=C(CCF)C(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2nc(CC3CC3)no2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.48
NR1I2 O75469 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40

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
SCHEMBL24258840 0.87 NR1H4 (0.48) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24258845 0.87 NR1H4 (0.49) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24258701 0.86 NR1H4 (0.48) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24259017 0.86 AKR1C4 (0.35) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24258946 0.86 NR1H4 (0.47) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24259005 0.86 NR1H4 (0.47) NR1H4
SCHEMBL24259050 0.85 NR1H4 (0.49) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24258817 0.84 AKR1C4 (0.35) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24259126 0.84 NR1H4 (0.47) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24258866 0.84 NR1H4 (0.47) 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 2/4885NR1I2 8/4885CYP2C9 1096/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C9 1096/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C9 1096/4885

“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.