SCHEMBL22348014

SCHEMBL22348014

OCC12CCC(c3nc(C4CCOCC4)no3)(CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.48
NR1I2 O75469 7/20 0.48
CYP2C9 P11712 7/20 0.48
CYP2C19 P33261 7/20 0.48

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
SCHEMBL22347230 0.91 NR1H4 (0.45) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347352 0.78 NR1H4 (0.43) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347703 0.78 NR1H4 (0.41) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22350451 0.76 NR1H4 (0.45) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347558 0.72 NR1H4 (0.46) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347813 0.72 NR1H4 (0.37) NR1H4CYP2C19
SCHEMBL22347355 0.72 NR1H4 (0.46) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348447 0.71 HSD11B1 (0.51) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22352913 0.71 NR1H4 (0.41) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347606 0.71 HSD11B1 (0.44) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677659-B Substituted amide compounds useful as farnesoid X receptor modulators 百时美施贵宝公司 2024-09-06 CN disclosed
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 US disclosed
EP-3924329-A2 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168152-A2 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020168152-A2 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-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C9 885/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C9 885/4885

“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.