SCHEMBL4873307

SCHEMBL4873307

Cc1cccc2cccc(CN3CCC(C(c4c[nH]c5ccc(F)cc45)C4CO4)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRK1 P41145 2/20 0.51
OPRL1 P41146 2/20 0.51
MPO P05164 1/20 0.41
KCNH2 Q12809 2/20 0.40
SOS1 Q07889 1/20 0.39
SLC6A4 P31645 2/20 0.37
DRD2 P14416 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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 0.81 OPRM1 (0.75) OPRM1OPRK1OPRL1MPOKCNH2
SCHEMBL4873298 0.76 OPRM1 (0.49) OPRM1OPRK1OPRL1MPOSOS1
SCHEMBL4873314 0.69 OPRM1 (0.45) OPRM1OPRK1OPRL1KCNH2SLC6A4
SCHEMBL14280672 0.68 OPRM1 (1.00) OPRM1OPRK1OPRL1KCNH2SLC6A4
SCHEMBL13375737 0.65 MPO (0.69) OPRM1OPRK1OPRL1MPOSOS1
SCHEMBL14280689 0.65 OPRM1 (0.64) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL14375346 0.65 MPO (0.72) OPRM1OPRK1OPRL1MPOSOS1
SCHEMBL14280681 0.63 OPRM1 (0.79) OPRM1OPRK1OPRL1CHRM1
SCHEMBL14280683 0.63 OPRM1 (0.57) OPRM1OPRK1OPRL1SLC6A4
SCHEMBL13374358 0.62 MPO (0.67) OPRM1OPRK1OPRL1MPOSOS1

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.