SCHEMBL17438705

SCHEMBL17438705

CN(C)C1(c2cccs2)CCC2(CCN(CC3CCCC3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 1.00
OPRL1 P41146 14/20 1.00
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL17438682 0.98 OPRM1 (0.96) OPRM1OPRL1
SCHEMBL17439094 0.95 OPRM1 (0.91) OPRM1OPRL1
SCHEMBL17438719 0.90 OPRM1 (0.82) OPRM1OPRL1
SCHEMBL17438870 0.88 OPRM1 (0.78) OPRM1OPRL1
SCHEMBL17438997 0.87 OPRM1 (0.77) OPRM1OPRL1
SCHEMBL17438670 0.86 OPRM1 (0.76) OPRM1OPRL1
SCHEMBL17438850 0.84 OPRM1 (0.72) OPRM1OPRL1
SCHEMBL17444432 0.83 OPRM1 (0.71) OPRM1OPRL1
SCHEMBL17444122 0.80 OPRM1 (0.69) OPRM1OPRL1SIGMAR1
SCHEMBL17438978 0.80 OPRM1 (0.66) OPRM1OPRL1

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-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US claimed
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 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 (2 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-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885SIGMAR1 9/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885SIGMAR1 9/4885

“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.