SCHEMBL24259591

SCHEMBL24259591

C=C(CCF)C(=O)N(CCCCCc1noc(C(C)(C)F)n1)c1cccc(-c2cn[nH]c(=O)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 17/20 0.34
NR1I2 O75469 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ABCB11 O95342 1/20 0.33
UGT1A1 P22309 1/20 0.33
FXR2 P51116 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL24259695 0.82 HTR2C (0.35) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL24451777 0.82 HDAC1 (0.43) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL24259515 0.80 HDAC1 (0.33) NR1H4HDAC1HDAC8HDAC6MAPT
SCHEMBL24259255 0.79 NR1H4 (0.43) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24452267 0.78 HDAC1 (0.42) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL24259050 0.78 NR1H4 (0.49) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24258701 0.77 NR1H4 (0.48) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24259447 0.77 NR1H4 (0.51) NR1H4
SCHEMBL24258879 0.76 NR1H4 (0.45) NR1H4
SCHEMBL22350261 0.76 HDAC1 (0.32) HDAC1HDAC8HDAC6MAPT

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.