SCHEMBL17444355

SCHEMBL17444355

CN[C@]1(c2ccccn2)CC[C@]2(CC1)CC(=O)N(CC(C)(C)C(N)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 16/20 0.45
▸ VNN1 O95497 2/20 0.36
▸ OPRL1 P41146 4/20 0.34
▸ GRM4 Q14833 1/20 0.34

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
SCHEMBL17444354 1.00 OPRM1 (0.45) OPRM1VNN1OPRL1GRM4
Trifluoroacetic Acid SCHEMBL17444198 0.95 OPRM1 (0.43) OPRM1VNN1OPRL1
Trifluoroacetic Acid SCHEMBL20210984 0.95 OPRM1 (0.43) OPRM1VNN1OPRL1
SCHEMBL17443809 0.92 OPRM1 (0.40) OPRM1VNN1OPRL1GRM4
SCHEMBL17443808 0.92 OPRM1 (0.40) OPRM1VNN1OPRL1GRM4
SCHEMBL17444326 0.87 OPRM1 (0.43) OPRM1VNN1OPRL1GRM4
SCHEMBL17444324 0.87 OPRM1 (0.43) OPRM1VNN1OPRL1GRM4
SCHEMBL17444100 0.86 OPRM1 (0.58) OPRM1OPRL1
SCHEMBL17444101 0.86 OPRM1 (0.58) OPRM1OPRL1
SCHEMBL17444279 0.85 OPRM1 (0.45) OPRM1VNN1OPRL1GRM4

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 4 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

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 2/4885VNN1 4108/4885OPRL1 1/4885

“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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