SCHEMBL29458303

SCHEMBL29458303

CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(O)c4)(CC2)CC3)no1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.76
NR1I2 O75469 4/20 0.73
CYP2C19 P33261 4/20 0.73
CYP2C9 P11712 3/20 0.73

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
SCHEMBL22348614 1.00 NR1H4 (0.76) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL22348755 0.92 NR1H4 (0.76) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL22348017 0.89 NR1H4 (0.84) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL22348687 0.88 NR1H4 (0.73) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL31608457 0.87 NR1H4 (0.73) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL22348501 0.87 NR1H4 (0.73) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL22348530 0.87 NR1H4 (0.72) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL24259346 0.86 NR1H4 (1.00) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL22347622 0.86 NR1H4 (1.00) NR1H4NR1I2CYP2C19CYP2C9
SCHEMBL22348542 0.86 NR1H4 (0.73) NR1H4NR1I2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS NR1H4, NR1H3, NR1H2 NR1H4 1/4885NR1I2 9/4885CYP2C19 1919/4885

“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.