SCHEMBL17444277

SCHEMBL17444277

CNC1(c2ccccn2)CCC2(CC1)CC(=O)N(CCC(N)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.45
▸ OPRL1 P41146 5/20 0.36
▸ VNN1 O95497 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ GRM4 Q14833 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL17444279 1.00 OPRM1 (0.45) OPRM1OPRL1VNN1HSD11B1GRM4
SCHEMBL17444365 0.95 OPRM1 (0.41) OPRM1OPRL1VNN1HSD11B1GRM4
SCHEMBL17444363 0.95 OPRM1 (0.41) OPRM1OPRL1VNN1HSD11B1GRM4
SCHEMBL17444324 0.90 OPRM1 (0.43) OPRM1OPRL1VNN1HSD11B1GRM4
SCHEMBL17444326 0.90 OPRM1 (0.43) OPRM1OPRL1VNN1HSD11B1GRM4
Trifluoroacetic Acid SCHEMBL20211000 0.89 OPRM1 (0.39) OPRM1OPRL1VNN1HSD11B1ADORA2A
Trifluoroacetic Acid SCHEMBL19137846 0.89 OPRM1 (0.39) OPRM1OPRL1VNN1HSD11B1ADORA2A
SCHEMBL17443809 0.87 OPRM1 (0.40) OPRM1OPRL1VNN1HSD11B1GRM4
SCHEMBL17443808 0.87 OPRM1 (0.40) OPRM1OPRL1VNN1HSD11B1GRM4
SCHEMBL17444354 0.85 OPRM1 (0.45) OPRM1OPRL1VNN1GRM4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP claimed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — US claimed
EP-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 — — EP claimed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 — — WO claimed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — 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 (1 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 OPRM1 2/4885OPRL1 1/4885VNN1 4108/4885

“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.

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