SCHEMBL17438533

SCHEMBL17438533

CN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNC(=O)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.58
OPRL1 P41146 3/20 0.58
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CD274 Q9NZQ7 2/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
PDCD1 Q15116 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL17438602 0.85 OPRM1 (0.59) OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL17438622 0.84 OPRM1 (0.58) OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL17438644 0.77 OPRM1 (0.63) OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL17439009 0.77 OPRM1 (0.37) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL19094120 0.76 OPRM1 (0.46) OPRM1OPRL1
SCHEMBL19094119 0.76 OPRM1 (0.46) OPRM1OPRL1
SCHEMBL17438663 0.75 CCNC (0.42) OPRM1OPRL1
SCHEMBL17438539 0.74 OPRM1 (0.42) OPRM1OPRL1HCAR3HCAR2SLC6A2
SCHEMBL17438641 0.73 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL17443836 0.73 OPRM1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US disclosed
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 EP disclosed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 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 (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 1/4885CYP11B1 509/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885CYP11B1 509/4885

“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.