SCHEMBL7094401

SCHEMBL7094401

NC1CCN(C2(c3ccccc3)CCCCCC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.69
GRIN1 Q05586 2/20 0.69
GRIN2A Q12879 2/20 0.69
GRIN2B Q13224 2/20 0.69
GRIN2D O15399 1/20 0.69
GRIN3B O60391 1/20 0.69
CYP2B6 P20813 1/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A4 P31645 1/20 0.69
PRCP P42785 1/20 0.69
SLC6A3 Q01959 1/20 0.69
KCNH2 Q12809 1/20 0.69
GRIN2C Q14957 1/20 0.69
GRIN3A Q8TCU5 1/20 0.69
OPRM1 P35372 5/20 0.67
OPRD1 P41143 1/20 0.67
SLC6A9 P48067 5/20 0.48
OPRL1 P41146 3/20 0.48

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
SCHEMBL9128229 1.00 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL4049565 0.87 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL2875830 0.85 SIGMAR1 (0.61) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL4126158 0.85 SIGMAR1 (0.66) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL1764442 0.83 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL1262334 0.83 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL9153279 0.82 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Phencyclidine SCHEMBL17008793 0.82 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Rolicyclidine SCHEMBL517928 0.82 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL3407261 0.82 GRIN1 (0.92) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D

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
US-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists ITO FUMITAKA (JP) 2003-06-12 US disclosed
EP-1299364-A1 BENZODIAZEPINES AS INHIBITORS OF HPV E1 HELICASE F. HOFFMANN-LA ROCHE AG (CH) 2003-04-09 EP disclosed
EP-1102762-B1 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-11-13 EP disclosed
WO-2002000632-A1 BENZODIAZEPINES AS INHIBITORS OF HPV E1 HELICASE F. HOFFMANN-LA ROCHE AG (CH) 2002-01-03 WO 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 SIGMAR1 7/4885GRIN1 138/4885GRIN2A 557/4885

“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.