SCHEMBL22347663

SCHEMBL22347663

COC(=O)C12CCC(c3ncc(Br)cn3)(CC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CHRM1 P11229 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDH1 O75874 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
DGAT1 O75907 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
OPRK1 P41145 1/20 0.30

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
SCHEMBL14968320 0.79 HSD11B1 (0.35) HSD11B1CHRM1NPC1RAB9AKDM4E
SCHEMBL22347341 0.75 HSD11B1 (0.40) HSD11B1ADORA2AADORA1CHRM1IDH1
SCHEMBL204803 0.74 CHRM1 (0.39) HSD11B1ADORA2AADORA1CHRM1RAB9A
SCHEMBL2445606 0.71 NPSR1 (0.46) HSD11B1ADORA2AADORA1CHRM1LMNA
SCHEMBL22352801 0.70 HSD11B1 (0.38) HSD11B1ADORA2AADORA1CHRM1IDH1
SCHEMBL205207 0.70 CHRM1 (0.39) HSD11B1CHRM1KDM4ESMN1; SMN2MEN1
SCHEMBL24892085 0.69 HSD11B1 (0.37) HSD11B1CHRM1NPC1RAB9AKDM4E
SCHEMBL30182368 0.69 HSD11B1 (0.37) HSD11B1CHRM1NPC1RAB9AKDM4E
SCHEMBL22354219 0.68 ALDH1A1 (0.30) ADORA2AADORA1ALDH1A1
SCHEMBL22347238 0.68 ADORA2A (0.30) ADORA2AADORA1

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-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

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 HSD11B1 47/4885ADORA2A 1257/4885ADORA1 695/4885

“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.