SCHEMBL7097215

SCHEMBL7097215

CN1CCN(c2nc3cc(F)ccc3n2C2CCN(C3(c4ccccc4)CCCCCC3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.57
OPRM1 P35372 10/20 0.57
OPRK1 P41145 8/20 0.57
OPRD1 P41143 6/20 0.57
HTT P42858 3/20 0.42
KCNH2 Q12809 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRCP P42785 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL7093781 0.93 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7090555 0.89 OPRL1 (0.66) OPRL1OPRM1OPRK1OPRD1HTT
SCHEMBL7094032 0.89 OPRM1 (0.71) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7095645 0.89 OPRM1 (0.71) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7095902 0.89 OPRM1 (0.71) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7095144 0.83 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7091407 0.80 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7093813 0.80 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL7092510 0.80 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL6476773 0.79 OPRM1 (0.58) 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 2 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

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.