SCHEMBL29458322

SCHEMBL29458322

CC(C)(C)OC(=O)Nc1cccc(NCC23CCC(c4noc(C5(F)CC5)n4)(CC2)CC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.38
SYK P43405 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
CYP17A1 P05093 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL31608465 0.88 NR1H4 (0.43) NR1H4CYP2C19
SCHEMBL29458342 0.87 NR1H4 (0.42) NR1H4CYP2C19
SCHEMBL22348552 0.86 NR1H4 (0.37) NR1H4
SCHEMBL29458235 0.81 NR1H4 (0.48) NR1H4CYP2C19
SCHEMBL22347797 0.79 NR1H4 (0.34) NR1H4
SCHEMBL29458218 0.78 NR1H4 (0.57) NR1H4CYP2C19
SCHEMBL22348688 0.77 NR1H4 (0.45) NR1H4CYP2C19
SCHEMBL22348689 0.75 NR1H4 (0.44) NR1H4CYP2C19
SCHEMBL29458299 0.74 NR1H4 (0.42) NR1H4SYK
SCHEMBL29458332 0.74 SYK (0.40) NR1H4SYKHCRTR1HCRTR2CYP17A1

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 2 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

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 NR1H4 1/4885SYK 3934/4885HCRTR1 263/4885
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS NR1H4, NR1H3, NR1H2 NR1H4 1/4885SYK 3488/4885HCRTR1 300/4885

“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.