SCHEMBL7090555

SCHEMBL7090555

CN1CCN(c2nc3ccccc3n2C2CCN(C3(c4ccc(F)cc4)CCCCCC3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.66
OPRM1 P35372 12/20 0.66
OPRK1 P41145 11/20 0.66
OPRD1 P41143 8/20 0.66
KCNH2 Q12809 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7095645 0.92 OPRM1 (0.71) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7094032 0.92 OPRM1 (0.71) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7095902 0.92 OPRM1 (0.71) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7097215 0.89 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7093781 0.89 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7093813 0.84 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7091407 0.84 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7092510 0.83 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7091964 0.83 OPRL1 (0.74) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7094987 0.83 OPRL1 (0.74) OPRL1OPRM1OPRK1OPRD1KCNH2

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 5 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
EP-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 EP disclosed
US-6172067-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-01-09 US disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 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-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists OPRL1, ORMDL3, OPRM1 OPRL1 1/4885OPRM1 3/4885OPRK1 6/4885

“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.