SCHEMBL17447458

SCHEMBL17447458

COC(=O)C(C)(C)CN1C[C@]2(CC[C@@](c3ccccn3)(N(C)C)CC2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 19/20 0.39
▸ OPRL1 P41146 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL17443886 1.00 OPRM1 (0.39) OPRM1OPRL1ALDH1A1CYP3A4CYP2D6
SCHEMBL17443887 1.00 OPRM1 (0.39) OPRM1OPRL1ALDH1A1CYP3A4CYP2D6
SCHEMBL17443879 0.89 OPRM1 (0.50) OPRM1OPRL1
SCHEMBL17443881 0.89 OPRM1 (0.50) OPRM1OPRL1
Hydrochloric Acid SCHEMBL17444033 0.89 OPRM1 (0.43) OPRM1OPRL1
Hydrochloric Acid SCHEMBL17444032 0.89 OPRM1 (0.43) OPRM1OPRL1
Trifluoroacetic Acid SCHEMBL17444194 0.84 OPRM1 (0.48) OPRM1OPRL1
Trifluoroacetic Acid SCHEMBL17444059 0.84 OPRM1 (0.48) OPRM1OPRL1
Trifluoroacetic Acid SCHEMBL20210987 0.84 OPRM1 (0.48) OPRM1OPRL1
SCHEMBL17447500 0.84 OPRM1 (0.41) OPRM1OPRL1ALDH1A1CYP3A4CYP2D6

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 3 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
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE 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 (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 1/4885ALDH1A1 359/4885

“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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