SCHEMBL24258965

SCHEMBL24258965

O=CCCCCc1cc(C(F)(F)F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
CYP2D6 P10635 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
GLS O94925 6/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL14325726 0.80 NOS3 (0.44) NOS3NOS2CYP2D6PSEN1PSEN2
SCHEMBL29796563 0.79 NOS3 (0.47) NOS3NOS2CYP2D6PSEN1PSEN2
SCHEMBL21503698 0.78 GABRA2 (0.45) NOS3NOS2CYP2D6PSEN1PSEN2
SCHEMBL24258957 0.78 NOS3 (0.43) NOS3NOS2GLSCCNCCDK8
SCHEMBL28283856 0.78 NOS3 (0.46) NOS3NOS2CYP2D6PSEN1PSEN2
SCHEMBL20298821 0.74 CTSK (0.48) NOS3NOS2CYP2D6PSEN1PSEN2
SCHEMBL21503646 0.74 CYP2D6 (0.52) NOS3NOS2CYP2D6PSEN1PSEN2
SCHEMBL24258806 0.73 GLS (0.44) CYP2D6PSEN1PSEN2APH1BNCSTN
SCHEMBL5260538 0.73 NOS3 (0.52) NOS3NOS2CYP2D6PSEN1PSEN2
Hydrochloric Acid SCHEMBL14744006 0.72 NOS3 (0.52) NOS3NOS2CYP2D6PSEN1PSEN2

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 NOS3 2407/4885NOS2 3603/4885CYP2D6 1210/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NOS3 2407/4885NOS2 3603/4885CYP2D6 1210/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NOS3 2407/4885NOS2 3603/4885CYP2D6 1210/4885

“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.