SCHEMBL22348556

SCHEMBL22348556

CC(F)(F)c1nc(C23CCC(CNc4cccc(C(F)(F)F)c4)(CC2)CC3)no1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
HSD11B2 P80365 1/20 0.46
NR1H4 Q96RI1 17/20 0.42
IDH2 P48735 1/20 0.39
NR1I2 O75469 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ABCB11 O95342 1/20 0.38
UGT1A1 P22309 1/20 0.38
FXR2 P51116 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38

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
SCHEMBL22348553 0.88 HSD11B1 (0.45) HSD11B1HSD11B2NR1H4NR1I2CYP2C9
SCHEMBL22348714 0.88 HSD11B1 (0.44) HSD11B1HSD11B2NR1H4NR1I2CYP2C9
SCHEMBL22347940 0.88 HSD11B1 (0.44) HSD11B1HSD11B2NR1H4NR1I2CYP2C9
SCHEMBL22348576 0.86 HDAC1 (0.47) HSD11B1HSD11B2NR1H4
SCHEMBL22348746 0.85 HDAC1 (0.46) HSD11B1HSD11B2NR1H4NR1I2CYP2C9
SCHEMBL22348605 0.84 NR1H4 (0.46) HSD11B1HSD11B2NR1H4NR1I2CYP2C9
SCHEMBL22348706 0.84 NR1H4 (0.43) HSD11B1HSD11B2NR1H4NR1I2CYP2C9
SCHEMBL22348688 0.84 NR1H4 (0.45) HSD11B1HSD11B2NR1H4NR1I2CYP2C9
SCHEMBL22347294 0.83 NR1H4 (0.43) HSD11B1HSD11B2NR1H4NR1I2CYP2C9
SCHEMBL22348675 0.83 HSD11B1 (0.43) HSD11B1HSD11B2NR1H4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319676-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-06-03 US disclosed
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-03-17 US disclosed
EP-3924333-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168149-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO 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 (2 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-12319676-B2 Substituted amide compounds useful as farnesoid X receptor modulators NR1H4, FXR1, NR1H3 HSD11B1 153/4885HSD11B2 258/4885NR1H4 1/4885
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS NR1H4, NR1H3, NR1H2 HSD11B1 147/4885HSD11B2 245/4885NR1H4 1/4885

“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.