SCHEMBL7095645

SCHEMBL7095645

CN1CCN(c2nc3ccccc3n2C2CCN(C3(c4ccccc4)CCCCCCC3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.71
OPRK1 P41145 12/20 0.71
OPRL1 P41146 11/20 0.71
OPRD1 P41143 7/20 0.71
KCNH2 Q12809 2/20 0.50
OGFRL1 Q5TC84 3/20 0.47
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP2B6 P20813 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
PRCP P42785 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL7095902 1.00 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7094032 1.00 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7090555 0.92 OPRL1 (0.66) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7091407 0.92 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7093813 0.92 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7092510 0.91 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL6476773 0.89 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7093781 0.89 OPRL1 (0.57) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL7097215 0.89 OPRL1 (0.57) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL6483596 0.88 OPRM1 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102762-B1 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-11-13 EP claimed
EP-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 EP claimed
US-6172067-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-01-09 US claimed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 WO claimed
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.