SCHEMBL4871637

SCHEMBL4871637

[C-]#[N+]c1ccc2c(c1)c(C1=CCN([C@H]3Cc4cccc5cccc3c45)CC1)cn2CC1CO1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.55
OPRM1 P35372 11/20 0.55
OPRK1 P41145 5/20 0.32
OPRD1 P41143 2/20 0.31
HTR1A P08908 2/20 0.30

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
SCHEMBL4871631 1.00 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1HTR1A
SCHEMBL14305528 0.87 OPRL1 (0.72) OPRL1OPRM1OPRK1OPRD1HTR1A
SCHEMBL5138359 0.82 OPRL1 (0.64) OPRL1OPRM1OPRK1
SCHEMBL4877078 0.77 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1
SCHEMBL14280708 0.72 OPRL1 (0.64) OPRL1OPRM1OPRK1OPRD1HTR1A
SCHEMBL14305540 0.71 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1HTR1A
SCHEMBL14305526 0.69 OPRL1 (0.83) OPRL1OPRM1HTR1A
SCHEMBL4881232 0.66 OPRL1 (0.67) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4881230 0.66 OPRL1 (0.67) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4871619 0.64 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1HTR1A

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 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.