SCHEMBL7094728

SCHEMBL7094728

C=CC1(N2CCC(n3c(N4CCC(N)CC4)nc4ccccc43)CC2)CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.56
OPRK1 P41145 15/20 0.56
OPRL1 P41146 13/20 0.56
OPRD1 P41143 13/20 0.56
KCNH2 Q12809 1/20 0.52
OGFRL1 Q5TC84 6/20 0.48

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
SCHEMBL7095226 0.85 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7090627 0.83 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7141548 0.82 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7091137 0.81 OPRM1 (0.52) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7095398 0.76 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7095606 0.75 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7093813 0.74 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7091407 0.74 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7091964 0.73 OPRL1 (0.74) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7094987 0.73 OPRL1 (0.74) OPRM1OPRK1OPRL1OPRD1KCNH2

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-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists ITO FUMITAKA (JP) 2003-06-12 US disclosed
EP-1102762-B1 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-11-13 EP disclosed
US-6172067-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-01-09 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-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists OPRL1, ORMDL3, OPRM1 OPRM1 3/4885OPRK1 6/4885OPRL1 1/4885

“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.