SCHEMBL22348193

SCHEMBL22348193

COc1ccc(C23CCC(CO)(CC2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRL1 P41146 3/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL25386527 0.84 CA12 (0.41) OPRM1OPRL1OPRD1OPRK1MAOB
SCHEMBL8178693 0.79 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1MAOB
SCHEMBL22347457 0.77 NR1H4 (0.41) OPRM1OPRL1OPRD1OPRK1SLC6A4
SCHEMBL20500633 0.76 S1PR1 (0.39) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL20944518 0.76 MEN1 (0.38) OPRM1OPRL1OPRD1OPRK1CA12
SCHEMBL985496 0.76 F10 (0.45) OPRM1OPRL1MAOBMAOACA12
SCHEMBL22348648 0.75 ALDH1A1 (0.39) OPRL1ALDH1A1LMNA
SCHEMBL22347717 0.75 ALDH1A1 (0.36) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL21805995 0.74 MAPT (0.38) SLC6A4SLC6A3ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL22027299 0.74 PNMT (0.53) OPRM1OPRL1MAOBMAOACA12

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 5 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
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 (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-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 OPRM1 104/4885OPRL1 293/4885OPRD1 175/4885

“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.