SCHEMBL6476805

SCHEMBL6476805

c1ccc(C2(N3CCC(n4cnc5ccccc54)CC3)CCCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.70
OPRL1 P41146 1/20 0.70
SLC6A4 P31645 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
CYP2B6 P20813 1/20 0.51
SLC6A2 P23975 1/20 0.51
PRCP P42785 1/20 0.51
SLC6A3 Q01959 1/20 0.51
GRIN1 Q05586 1/20 0.51
KCNH2 Q12809 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
DRD2 P14416 1/20 0.51
OPRD1 P41143 1/20 0.50
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL7094472 0.92 OPRM1 (0.66) OPRM1OPRL1SLC6A4GRIN2DGRIN3B
SCHEMBL26996552 0.82 OPRM1 (1.00) OPRM1OPRL1SLC6A4DRD2OPRD1
SCHEMBL7853415 0.77 SIGMAR1 (0.50) OPRM1OPRL1SLC6A4GRIN2DGRIN3B
SCHEMBL6211429 0.77 OPRM1 (0.63) OPRM1OPRL1SLC6A4DRD2ALDH1A1
SCHEMBL6216571 0.76 OPRM1 (0.50) OPRM1OPRL1SLC6A4GRIN2DGRIN3B
SCHEMBL7095434 0.76 OPRM1 (0.49) OPRM1OPRL1SLC6A4GRIN2DGRIN3B
SCHEMBL7094122 0.76 CYP2D6 (0.52) OPRM1OPRL1SLC6A4GRIN2DGRIN3B
SCHEMBL7094150 0.76 OPRM1 (0.58) OPRM1OPRL1SLC6A4GRIN2DGRIN3B
SCHEMBL7094475 0.76 OPRM1 (0.49) OPRM1OPRL1SLC6A4GRIN2DGRIN3B
SCHEMBL7095112 0.76 OPRM1 (0.49) OPRM1OPRL1SLC6A4GRIN2DGRIN3B

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 12 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-6861425-B2 Benzimidazole compounds as ORL1-receptor agonists PFIZER, INC. (US) 2005-03-01 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-20020049212-A1 Benzimidazole compounds as ORL1-receptor agonists PFIZER PRODUCTS INC. 2002-04-25 US disclosed
EP-1122257-A1 Benzimidazole compounds as ORL1-receptor agonists PFIZER INC. (US) 2001-08-08 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 (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-20020049212-A1 Benzimidazole compounds as ORL1-receptor agonists OPRL1, ORMDL3, OGFRL1 OPRM1 4/4885OPRL1 1/4885SLC6A4 1759/4885
US-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists OPRL1, ORMDL3, OPRM1 OPRM1 3/4885OPRL1 1/4885SLC6A4 1576/4885

“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.