SCHEMBL17439010

SCHEMBL17439010

CCCC(=O)N1CCC2(CCC(c3ccc(C)s3)(N(C)C)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.66
OPRL1 P41146 10/20 0.66
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
EPHX2 P34913 1/20 0.36
HSD11B1 P28845 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL17438708 0.91 OPRM1 (0.53) OPRM1OPRL1ITGB3ITGA2BHSD11B1
SCHEMBL17438660 0.88 OPRM1 (0.64) OPRM1OPRL1ITGB3ITGA2BEPHX2
SCHEMBL17438745 0.88 OPRM1 (0.64) OPRM1OPRL1ITGB3ITGA2BEPHX2
SCHEMBL17438849 0.86 OPRM1 (0.66) OPRM1OPRL1HSD11B1NPC1RAB9A
SCHEMBL17438631 0.86 OPRM1 (0.48) OPRM1OPRL1
SCHEMBL17438597 0.82 OPRM1 (0.69) OPRM1OPRL1ITGB3ITGA2BHSD11B1
SCHEMBL17438525 0.82 OPRM1 (0.47) OPRM1OPRL1HSD11B1
SCHEMBL17438828 0.81 OPRM1 (0.43) OPRM1OPRL1ITGB3ITGA2BEPHX2
SCHEMBL17444350 0.80 OPRM1 (0.48) OPRM1OPRL1
SCHEMBL17438976 0.79 OPRM1 (1.00) OPRM1OPRL1HSD11B1

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 8 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
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
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 1/4885ITGB3 777/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885ITGB3 777/4885

“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.