SCHEMBL29458299

SCHEMBL29458299

CC(C)(C)OC(=O)Nc1cccc(NCC23CCC(c4ccc(C(F)(F)F)cn4)(CC2)CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.42
RXFP1 Q9HBX9 1/20 0.41
RORC P51449 3/20 0.40
SYK P43405 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29458332 0.95 SYK (0.40) NR1H4RXFP1RORCSYK
SCHEMBL22348650 0.87 NR1H4 (0.44) NR1H4KDM4ELMNAHTTSMN1; SMN2
SCHEMBL22348736 0.83 NR1H4 (0.40) NR1H4
SCHEMBL29458307 0.79 NR1H4 (0.68) NR1H4
SCHEMBL22347328 0.79 NR1H4 (0.42) NR1H4
SCHEMBL31608465 0.77 NR1H4 (0.43) NR1H4
SCHEMBL22353515 0.76 USP2 (0.40) NR1H4
SCHEMBL22348628 0.75 NR1H4 (0.37) NR1H4
SCHEMBL29458342 0.74 NR1H4 (0.42) NR1H4
SCHEMBL29458322 0.74 NR1H4 (0.38) NR1H4SYK

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 1/4885RXFP1 10/4885RORC 71/4885
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS NR1H4, NR1H3, NR1H2 NR1H4 1/4885RXFP1 11/4885RORC 54/4885

“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.