SCHEMBL24259543

SCHEMBL24259543

CC(C)(C)c1noc(CCCCCNc2cc(Br)ccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.40
ITGB3 P05106 4/20 0.34
ITGAV P06756 4/20 0.34
ITGA2B P08514 4/20 0.34
SIRT2 Q8IXJ6 3/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
DNM2 P50570 2/20 0.30
HRH4 Q9H3N8 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGB6 P18564 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
SCHEMBL22352723 0.81 DRD4 (0.38) CNR2CNR1SIRT2HDAC1HDAC2
SCHEMBL22354023 0.80 ITGB3 (0.39) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL22353628 0.79 ITGB3 (0.35) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL22354330 0.77 ITGB3 (0.39) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL24259317 0.76 CNR2 (0.34) CNR2CNR1SIRT2
SCHEMBL24259573 0.76 ITGB3 (0.38) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL22353002 0.76 ABL1 (0.38) CNR2CNR1SIRT2HDAC1HDAC2
SCHEMBL26686229 0.72 DNM2 (0.50) MEN1KMT2ADNM2HRH4
SCHEMBL24259637 0.70 PRKAB2 (0.33) MEN1KMT2AKDM4DHRH4
SCHEMBL16065138 0.70 KDM4D (0.54) MEN1KMT2AKDM4D

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 3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 US 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 (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CNR2 631/4885CNR1 325/4885ITGB3 2009/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 CNR2 631/4885CNR1 325/4885ITGB3 2009/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 CNR2 631/4885CNR1 325/4885ITGB3 2009/4885

“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.