SCHEMBL22348648

SCHEMBL22348648

CN(C)c1ccc(C23CCC(CO)(CC2)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
TSHR P16473 4/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRL1 P41146 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
CYP3A4 P08684 3/20 0.36
MAPK1 P28482 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
DRD2 P14416 1/20 0.34
SLC2A1 P11166 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HBB P68871 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CCR1 P32246 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 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
SCHEMBL20944518 0.76 MEN1 (0.38) ALDH1A1ALOX15OPRL1CYP3A4DRD2
SCHEMBL22348193 0.75 OPRM1 (0.41) ALDH1A1OPRL1LMNA
SCHEMBL22347717 0.75 ALDH1A1 (0.36) ALDH1A1OPRL1LMNA
SCHEMBL2450279 0.75 PNMT (0.54) OPRL1MAPT
SCHEMBL31463620 0.72 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10CYP3A4
SCHEMBL22347738 0.71 ESR2 (0.46) ALDH1A1NR1H4CYP3A4LMNA
SCHEMBL20500633 0.66 S1PR1 (0.39) ALDH1A1TSHRALOX15NR1H4LMNA
SCHEMBL31203061 0.65
SCHEMBL22347419 0.65 UHRF1 (0.37) NR1H4
SCHEMBL11161896 0.65 ALDH1A1 (0.56) ALDH1A1TSHRALOX15HSD17B10CYP3A4

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 4 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
EP-3924333-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168149-A1 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-12319676-B2 Substituted amide compounds useful as farnesoid X receptor modulators NR1H4, FXR1, NR1H3 ALDH1A1 3644/4885TSHR 271/4885ALOX15 998/4885
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS NR1H4, NR1H3, NR1H2 ALDH1A1 3714/4885TSHR 264/4885ALOX15 879/4885

“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.