SCHEMBL19137907

SCHEMBL19137907

CCC(C)C(=O)N(C)CC(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ CHRNB2 P17787 2/20 0.30
▸ CHRNA4 P43681 2/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30

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
SCHEMBL16750129 0.82 DPP4 (0.37) OPRM1OPRL1CHRNB2CHRNA4CHRNB4
SCHEMBL26115312 0.78 HPGD (0.37) HPGD
SCHEMBL15945009 0.77 HPGD (0.35) HPGD
SCHEMBL13942628 0.76 ALDH1A1 (0.35) HPGDCHRNB2CHRNA4CHRNB4
SCHEMBL22045833 0.76 — —
SCHEMBL14465421 0.74 HPGD (0.36) HPGD
SCHEMBL16578290 0.74 CA1 (0.32) —
SCHEMBL26209588 0.74 DPP4 (0.30) —
SCHEMBL13003582 0.71 CA1 (0.37) HPGD
SCHEMBL13575850 0.71 MCL1 (0.33) 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 1 patent. 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

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 HPGD 3237/4885OPRM1 2/4885OPRL1 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.

Send feedback