SCHEMBL6838280

SCHEMBL6838280

O=c1[nH]c2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.67
OPRL1 P41146 7/20 0.67
OPRK1 P41145 6/20 0.67
CHRM1 P11229 4/20 0.61
CHRM2 P08172 2/20 0.61
CHRM4 P08173 2/20 0.61
CHRM3 P20309 1/20 0.61
SLC18A3 Q16572 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD2 P14416 1/20 0.51
KCNH2 Q12809 1/20 0.51
TNKS O95271 1/20 0.51
OPRD1 P41143 2/20 0.50

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
SCHEMBL7490310 1.00 OPRM1 (0.67) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL7489074 1.00 OPRM1 (0.67) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL6214489 1.00 OPRM1 (0.67) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL7542124 1.00 OPRM1 (0.67) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL6834514 1.00 OPRM1 (0.67) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL7486227 1.00 OPRM1 (0.67) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL7492650 0.99 OPRM1 (0.65) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL7547331 0.96 OPRM1 (0.62) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL7492314 0.94 OPRM1 (0.61) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL7497065 0.91 OPRM1 (0.62) OPRM1OPRL1OPRK1CHRM1CHRM2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423725-B1 ANALGESICS PFIZER INC 2002-07-23 US claimed
EP-1049689-B1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-06-26 EP claimed
EP-1049689-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2000-11-08 EP claimed
WO-1999036421-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-22 WO claimed
US-20040067950-A1 High affinity ligands for nociceptin receptor ORL-1 SCHERING-PLOUGH CORPORATION 2004-04-08 US disclosed
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-6423725-B1 ANALGESICS PFIZER INC 2002-07-23 US disclosed
EP-1049689-B1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-06-26 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
EP-1049689-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2000-11-08 EP disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 WO disclosed
WO-1999036421-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-22 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 (2 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 3/4885OPRL1 1/4885OPRK1 6/4885
US-20040067950-A1 High affinity ligands for nociceptin receptor ORL-1 OPRL1, OPRD1, OGFRL1 OPRM1 5/4885OPRL1 1/4885OPRK1 4/4885

“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.