SCHEMBL4877078

SCHEMBL4877078

[C-]#[N+]c1ccc2[nH]cc(C3=CCN(C4Cc5cccc6cccc4c56)CC3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.68
OPRM1 P35372 6/20 0.47
OPRK1 P41145 4/20 0.47
SLC6A4 P31645 5/20 0.39
OPRD1 P41143 1/20 0.37

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
SCHEMBL14306837 0.84 OPRL1 (0.68) OPRL1OPRM1OPRK1SLC6A4
SCHEMBL4871619 0.81 OPRL1 (1.00) OPRL1OPRM1OPRK1SLC6A4OPRD1
SCHEMBL4871631 0.77 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4871637 0.77 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1
SCHEMBL5138359 0.76 OPRL1 (0.64) OPRL1OPRM1OPRK1
SCHEMBL12253699 0.73 SLC6A4 (0.71) SLC6A4
SCHEMBL14280708 0.66 OPRL1 (0.64) OPRL1OPRM1OPRK1OPRD1
SCHEMBL14280673 0.64 OPRL1 (1.00) OPRL1OPRM1OPRK1SLC6A4OPRD1
SCHEMBL14305528 0.64 OPRL1 (0.72) OPRL1OPRM1OPRK1SLC6A4OPRD1
SCHEMBL14149949 0.62 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1

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
EP-1945213-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 EP disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 WO 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 OPRL1 2/4885OPRM1 11/4885OPRK1 5/4885

“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.