SCHEMBL7095335

SCHEMBL7095335

CC(C)[C@H](N)C(=O)Nc1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.50
OPRK1 P41145 10/20 0.50
OPRD1 P41143 8/20 0.50
OPRL1 P41146 8/20 0.50
OGFRL1 Q5TC84 7/20 0.50
ALK Q9UM73 1/20 0.42
LMNA P02545 1/20 0.40
ITK Q08881 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC6 Q9UBN7 2/20 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
SCHEMBL7094992 1.00 OPRM1 (0.50) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7093758 0.93 OPRM1 (0.52) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7096860 0.93 OPRM1 (0.52) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7095474 0.92 OPRM1 (0.47) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7091932 0.90 OPRM1 (0.46) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7092529 0.86 OPRM1 (0.49) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7093844 0.86 OPRM1 (0.53) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7095220 0.86 OPRM1 (0.47) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7093859 0.85 OPRM1 (0.46) OPRM1OPRK1OPRD1OPRL1OGFRL1
SCHEMBL7966918 0.85 OPRM1 (0.46) OPRM1OPRK1OPRD1OPRL1OGFRL1

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.