SCHEMBL19169899

SCHEMBL19169899

CN(C)C1(c2ccccn2)CCC2(CC1)CC(=O)N(CCCC(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 18/20 0.46
▸ OPRL1 P41146 11/20 0.46
▸ EPHX2 P34913 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
SCHEMBL17447562 1.00 OPRM1 (0.46) OPRM1OPRL1EPHX2
Hydrochloric Acid SCHEMBL17444140 0.99 OPRM1 (0.46) OPRM1OPRL1EPHX2
Hydrochloric Acid SCHEMBL17444137 0.99 OPRM1 (0.46) OPRM1OPRL1EPHX2
Hydrochloric Acid SCHEMBL17443990 0.94 OPRM1 (0.44) OPRM1OPRL1EPHX2
SCHEMBL17447502 0.94 OPRM1 (0.48) OPRM1OPRL1EPHX2
Hydrochloric Acid SCHEMBL17443962 0.93 OPRM1 (0.47) OPRM1OPRL1EPHX2
Hydrochloric Acid SCHEMBL17443961 0.93 OPRM1 (0.47) OPRM1OPRL1EPHX2
SCHEMBL17444166 0.92 OPRM1 (0.44) OPRM1OPRL1
SCHEMBL17444164 0.92 OPRM1 (0.44) OPRM1OPRL1
SCHEMBL17443848 0.89 OPRM1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — US 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 1/4885EPHX2 3509/4885

“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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