SCHEMBL22348644

SCHEMBL22348644

N#Cc1cccc(NCC23CCC(c4noc(C(F)(F)F)n4)(CC2)CC3)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC8 Q9BY41 6/20 0.54
HSD11B1 P28845 2/20 0.39
HSD11B2 P80365 1/20 0.39
ICMT O60725 1/20 0.36
NR1H4 Q96RI1 5/20 0.36
SLC22A12 Q96S37 1/20 0.35
NOS1 P29475 1/20 0.34
HDAC4 P56524 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL22348662 0.93 HDAC1 (0.46) HDAC6HDAC1HDAC8HSD11B1HSD11B2
SCHEMBL22348746 0.93 HDAC1 (0.46) HDAC6HDAC1HDAC8HSD11B1HSD11B2
SCHEMBL22354271 0.85 HSD11B1 (0.39) HDAC6HDAC1HDAC8HSD11B1HSD11B2
SCHEMBL22348556 0.80 HSD11B1 (0.46) HSD11B1HSD11B2NR1H4
SCHEMBL22348549 0.79 HSD11B1 (0.40) HDAC6HDAC1HDAC8HSD11B1HSD11B2
SCHEMBL22354274 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC8HSD11B1HSD11B2
SCHEMBL22348553 0.78 HSD11B1 (0.45) HDAC6HDAC1HDAC8HSD11B1HSD11B2
SCHEMBL22347940 0.78 HSD11B1 (0.44) HSD11B1HSD11B2NR1H4
SCHEMBL22348714 0.78 HSD11B1 (0.44) HSD11B1HSD11B2NR1H4
SCHEMBL22347294 0.78 NR1H4 (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 HDAC6 1794/4885HDAC1 1728/4885HDAC8 2414/4885
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS NR1H4, NR1H3, NR1H2 HDAC6 1807/4885HDAC1 1635/4885HDAC8 2498/4885

“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.