SCHEMBL17438529

SCHEMBL17438529

CCOC(=O)CC1CCC(c2ccccc2)(N(C)C)CC1C[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.41
OPRL1 P41146 13/20 0.41
SLC22A1 O15245 2/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL2380277 0.77 OPRL1 (0.55) OPRM1OPRL1SLC22A1OPRK1
SCHEMBL2380279 0.77 OPRL1 (0.55) OPRM1OPRL1SLC22A1OPRK1
SCHEMBL17443953 0.73 OPRM1 (0.48) OPRM1OPRL1OPRK1GAA
SCHEMBL13650545 0.70 OPRM1 (0.57) OPRM1OPRL1SLC22A1OPRK1
SCHEMBL2200217 0.65 OPRM1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL13650546 0.65 L3MBTL1 (0.52) OPRM1OPRL1SLC22A1OPRK1
SCHEMBL3407202 0.65 OPRM1 (0.43) OPRM1OPRL1SLC6A4GAA
SCHEMBL2379490 0.64 OPRL1 (0.54) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL2379486 0.63 OPRL1 (0.56) OPRM1OPRL1OPRK1
SCHEMBL7408742 0.63 L3MBTL1 (0.43) GAA

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-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 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 (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 1/4885SLC22A1 3074/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885SLC22A1 3074/4885

“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.