SCHEMBL17438830

SCHEMBL17438830

CC(C)CCN1CCC2(CCC(C3CCCC3)(N(C)C)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
OPRL1 P41146 5/20 0.50
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL17439081 0.86 OPRM1 (0.52) OPRM1OPRL1USP2CYP3A4TSHR
SCHEMBL17438827 0.83 OPRM1 (0.57) OPRM1OPRL1
SCHEMBL17439143 0.83 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL17439144 0.80 OPRM1 (0.60) OPRM1OPRL1
SCHEMBL17438807 0.80 OPRM1 (0.51) OPRM1OPRL1USP2CYP3A4TSHR
SCHEMBL23132218 0.80 CYP2D6 (0.37) OPRM1OPRL1USP2CYP3A4TSHR
SCHEMBL17439140 0.78 OPRM1 (0.55) OPRM1OPRL1
SCHEMBL17439148 0.78 OPRM1 (0.55) OPRM1OPRL1
SCHEMBL17438897 0.78 OPRM1 (0.46) OPRM1OPRL1
SCHEMBL17438907 0.78 OPRM1 (0.46) 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 claimed
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 EP claimed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP claimed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO claimed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US claimed

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 1/4885USP2 2835/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885USP2 2835/4885

“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.