SCHEMBL4763145

SCHEMBL4763145

CN(C)C1(c2ccccn2)CCC2(CC1)OCCc1c2sc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.41
OGFRL1 Q5TC84 10/20 0.41
OPRL1 P41146 6/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
SLC6A2 P23975 1/20 0.34

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
Citric Acid SCHEMBL4827292 0.87 LMNA (0.36) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL1305072 0.83 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL1304501 0.80 OPRM1 (0.62) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL4762134 0.77 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cadaverine Tartrate SCHEMBL1303987 0.76 OPRM1 (0.50) OPRM1OGFRL1OPRL1OPRD1OPRK1
Trifluoromethanesulfonic Acid SCHEMBL1304316 0.72 OPRM1 (0.55) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL17443892 0.70 OPRM1 (0.39) OPRM1OPRL1OPRD1OPRK1SLC6A2
SCHEMBL25359128 0.68 OPRM1 (0.33) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL25358759 0.68 OPRM1 (0.33) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2976303 0.67 SMN1; SMN2 (0.44) OPRM1OGFRL1OPRL1OPRD1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725567-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY TO THE ORL-1 RECEPTOR GRUENENTHAL GMBH (DE) 2008-03-26 EP claimed
US-7332519-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2008-02-19 US claimed
US-20050192333-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2005-09-01 US claimed
EP-1725567-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY TO THE ORL-1 RECEPTOR GRUENENTHAL GMBH (DE) 2008-03-26 EP disclosed
US-7332519-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2008-02-19 US disclosed
US-20050192333-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2005-09-01 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-20050192333-A1 Spirocyclic cyclohexane compounds OPRL1, OPRK1, OPRD1 OPRM1 5/4885OGFRL1 6/4885OPRL1 1/4885

“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.