SCHEMBL4873298

SCHEMBL4873298

Cc1cccc2cccc(CN3CCC(C4(Cc5c[nH]c6ccc(F)cc56)CO4)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
MPO P05164 2/20 0.46
PDE2A O00408 1/20 0.41
SOS1 Q07889 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL4880602 0.80 OPRM1 (0.75) OPRM1OPRK1OPRL1MPOHTR1A
SCHEMBL4873307 0.76 OPRM1 (0.51) OPRM1OPRK1OPRL1MPOSOS1
SCHEMBL14375346 0.70 MPO (0.72) OPRM1OPRK1OPRL1MPOPDE2A
SCHEMBL13375737 0.68 MPO (0.69) OPRM1OPRK1OPRL1MPOSOS1
SCHEMBL13374358 0.67 MPO (0.67) OPRM1OPRK1OPRL1MPOPDE2A
SCHEMBL14280672 0.67 OPRM1 (1.00) OPRM1OPRK1OPRL1HTR1A
SCHEMBL4873314 0.66 OPRM1 (0.45) OPRM1OPRK1OPRL1
SCHEMBL5170221 0.66 MPO (0.77) MPOHTR1A
SCHEMBL13499605 0.65 MPO (1.00) MPOHTR1A
SCHEMBL9635445 0.64 MPO (0.73) MPOHTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 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 (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-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 OPRM1 11/4885OPRK1 5/4885OPRL1 2/4885

“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.