SCHEMBL17439016

SCHEMBL17439016

CC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.71
OPRL1 P41146 11/20 0.71
OPRK1 P41145 2/20 0.53
CYP2C19 P33261 3/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP3A4 P08684 4/20 0.51
HIF1A Q16665 2/20 0.51
USP2 O75604 2/20 0.50
HSD11B1 P28845 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
OGFRL1 Q5TC84 1/20 0.47

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
SCHEMBL17444359 0.86 OPRM1 (0.68) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17438840 0.86 OPRM1 (0.68) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17438816 0.85 OPRM1 (0.67) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17438831 0.84 OPRL1 (0.67) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17438620 0.84 OPRM1 (0.65) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17439027 0.83 OPRM1 (0.64) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17438976 0.83 OPRM1 (1.00) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17444107 0.83 OPRM1 (0.70) OPRM1OPRL1OPRK1
SCHEMBL17444109 0.83 OPRM1 (0.70) OPRM1OPRL1OPRK1
SCHEMBL17444086 0.82 OPRM1 (0.63) OPRM1OPRL1OPRK1HSD11B1

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 1/4885OPRK1 5/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885OPRK1 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.