SCHEMBL22348662

SCHEMBL22348662

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NR1H4 Q96RI1 15/20 0.42
HSD11B1 P28845 2/20 0.40
HSD11B2 P80365 1/20 0.40
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
ICMT O60725 1/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 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
SCHEMBL22348746 0.96 HDAC1 (0.46) HDAC1HDAC8HDAC6NR1H4HSD11B1
SCHEMBL22348644 0.93 HDAC6 (0.54) HDAC1HDAC8HDAC6NR1H4HSD11B1
SCHEMBL22347294 0.85 NR1H4 (0.43) NR1H4HSD11B1HSD11B2NR1I2CYP2C9
SCHEMBL29458319 0.85 NR1H4 (0.43) NR1H4HSD11B1HSD11B2NR1I2CYP2C9
SCHEMBL22348549 0.82 HSD11B1 (0.40) HDAC1HDAC8HDAC6NR1H4HSD11B1
SCHEMBL22348553 0.82 HSD11B1 (0.45) HDAC1HDAC8HDAC6NR1H4HSD11B1
SCHEMBL22348556 0.81 HSD11B1 (0.46) NR1H4HSD11B1HSD11B2NR1I2CYP2C9
SCHEMBL22348714 0.81 HSD11B1 (0.44) NR1H4HSD11B1HSD11B2NR1I2CYP2C9
SCHEMBL22347940 0.81 HSD11B1 (0.44) NR1H4HSD11B1HSD11B2NR1I2CYP2C9
SCHEMBL22348658 0.79 NR1H4 (0.39) HDAC1HDAC8HDAC6NR1H4NR1I2

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 HDAC1 1728/4885HDAC8 2414/4885HDAC6 1794/4885
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS NR1H4, NR1H3, NR1H2 HDAC1 1635/4885HDAC8 2498/4885HDAC6 1807/4885

“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.