SCHEMBL24258800

SCHEMBL24258800

Cn1nc(C2CC2)cc1CCCCCO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.38
TBXAS1 P24557 2/20 0.38
CACNA1H O95180 1/20 0.33
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMB5 P28074 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
KCNT1 Q5JUK3 1/20 0.31

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
SCHEMBL251511 0.80 MPO (0.42) MPOCACNA1HPSMB8PSMB9PSMB5
SCHEMBL22353868 0.79 MPO (0.37) MPOCACNA1HPSMB8PSMB9PSMB5
SCHEMBL3433903 0.75 MPO (0.43) MPOCACNA1HPSMB8PSMB9PSMB5
SCHEMBL16666980 0.74 MPO (0.42) MPOCACNA1HPSMB8PSMB9PSMB5
Hydrochloric Acid SCHEMBL22031938 0.74 MPO (0.45) MPOCACNA1HPSMB8PSMB9PSMB5
SCHEMBL22084225 0.74 MPO (0.45) MPOCACNA1HPSMB8PSMB9PSMB5
SCHEMBL24258778 0.73 CNR1 (0.32) TBXAS1PSMB8PSMB9
SCHEMBL22549676 0.72 MPO (0.39) MPOCACNA1HPSMB8PSMB9PSMB5
SCHEMBL22354095 0.72 DRD4 (0.44)
SCHEMBL10202942 0.71 MPO (0.41) MPOCACNA1HPSMB8PSMB9PSMB5

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 MPO 4312/4885TBXAS1 740/4885CACNA1H 4649/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MPO 4312/4885TBXAS1 740/4885CACNA1H 4649/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 MPO 4821/4885TBXAS1 872/4885CACNA1H 4380/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MPO 4312/4885TBXAS1 740/4885CACNA1H 4649/4885

“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.