SCHEMBL22347204

SCHEMBL22347204

O=C(O)C12CCC(CNc3ccc(F)c(Br)c3)(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
IDO1 P14902 3/20 0.37
TDO2 P48775 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PIK3CD O00329 2/20 0.36
AKT1 P31749 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
CYP3A4 P08684 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 1/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL22347149 0.88 HSD11B1 (0.35) FAAHIDO1TDO2PTGDR2PIK3CD
SCHEMBL22354137 0.87 TSHR (0.37) FAAHIDO1TDO2PTGDR2PIK3CD
SCHEMBL22347580 0.78 GAA (0.46) KDM4EALDH1A1TDP1MAOB
SCHEMBL31608504 0.78 GAA (0.46) KDM4EALDH1A1TDP1MAOB
SCHEMBL22347929 0.77 IDO1 (0.35) IDO1KDM4ETDP1
SCHEMBL22347350 0.72 POLB (0.37) CYP3A4KDM4EALDH1A1
SCHEMBL4117988 0.70 IDO1 (0.48) FAAHIDO1TDO2PTGDR2ALDH1A1
SCHEMBL22347611 0.68 GAA (0.43) ALDH1A1
SCHEMBL20714768 0.67 ABL1 (0.39) IDO1TDO2CYP3A4KDM4EALDH1A1
SCHEMBL22354221 0.67 CA12 (0.45) IDO1TDO2ALDH1A1TDP1TSHR

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
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS 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-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 FAAH 2934/4885IDO1 2302/4885TDO2 3609/4885

“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.