SCHEMBL24259172

SCHEMBL24259172

C=C(F)CCC(=O)N(CCCCCc1noc(C(F)F)n1)c1cccc(-c2noc(C(F)F)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.40
MAPT P10636 1/20 0.37
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
NR1I2 O75469 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL24259477 0.87 NR1H4 (0.47) NR1H4HDAC1NR1I2CYP2C9CYP2C19
SCHEMBL24259365 0.86 NR1H4 (0.49) NR1H4MAPTHDAC1NR1I2CYP2C9
SCHEMBL24259476 0.86 NR1H4 (0.48) NR1H4MAPTHDAC1NR1I2CYP2C9
SCHEMBL24259022 0.86 NR1H4 (0.49) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24259336 0.85 NR1H4 (0.49) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24259499 0.84 NR1H4 (0.49) NR1H4
SCHEMBL24259031 0.84 NR1H4 (0.51) NR1H4MAPT
SCHEMBL24259082 0.80 NR1H4 (0.49) NR1H4MAPTHDAC1
SCHEMBL22353996 0.79 NR1H4 (0.43) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24258844 0.79 NR1H4 (0.49) NR1H4NR1I2CYP2C9CYP2C19

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 2/4885MAPT 398/4885HDAC4 1028/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885MAPT 398/4885HDAC4 1028/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885MAPT 398/4885HDAC4 1028/4885

“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.