SCHEMBL7093763

SCHEMBL7093763

NCCNc1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.50
OPRK1 P41145 13/20 0.50
OPRD1 P41143 11/20 0.50
OGFRL1 Q5TC84 6/20 0.50
OPRL1 P41146 14/20 0.44
KCNH2 Q12809 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP2B6 P20813 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
PRCP P42785 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL7458978 0.89 OPRM1 (0.46) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7096496 0.88 OPRM1 (0.44) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7096897 0.88 OPRM1 (0.47) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7092158 0.87 OPRM1 (0.44) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7094450 0.87 OPRM1 (0.44) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7092053 0.85 OPRM1 (0.51) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7094363 0.85 OPRM1 (0.52) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7095389 0.85 OPRM1 (0.49) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7092532 0.85 OPRM1 (0.49) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL7093821 0.84 OPRM1 (0.53) OPRM1OPRK1OPRD1OGFRL1OPRL1

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 6/4885OPRD1 5/4885

“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.