SCHEMBL24258778

SCHEMBL24258778

Cn1nc(CCCCCO)cc1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
BCHE P06276 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TBXAS1 P24557 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
SCHEMBL24258835 0.79 PSMB8 (0.31) PSMB8PSMB9
SCHEMBL22353782 0.78 MIF (0.39) CNR1CNR2PSMB8PSMB9
SCHEMBL24014923 0.74 PSMB8 (0.39) CNR1CNR2BCHEPSMB8PSMB9
SCHEMBL26970990 0.74 PSMB8 (0.33) BCHEPSMB8PSMB9
SCHEMBL24258800 0.73 MPO (0.38) PSMB8PSMB9TBXAS1
SCHEMBL24259264 0.72 DRD4 (0.42)
SCHEMBL22353810 0.70 CCR3 (0.37)
SCHEMBL24014330 0.68 PSMB8 (0.36) PSMB8PSMB9
SCHEMBL24914977 0.68 HTR2C (0.38) PSMB8PSMB9
SCHEMBL22437420 0.66 BCHE (0.36) BCHECYP4F2CYP4A11

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-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 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 (4 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 CNR1 325/4885CNR2 631/4885BCHE 2874/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 CNR1 325/4885CNR2 631/4885BCHE 2874/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CNR1 184/4885CNR2 312/4885BCHE 3128/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 CNR1 325/4885CNR2 631/4885BCHE 2874/4885

“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.