SCHEMBL17445686

SCHEMBL17445686

CC(C)(C)C(=O)CC1(C#N)CCC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
OPRM1 P35372 1/20 0.34
OPRL1 P41146 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
SCHEMBL17445684 0.92 DPP4 (0.41) DPP4
SCHEMBL17445695 0.81 DPP4 (0.35) DPP4
SCHEMBL17446960 0.78 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL2807409 0.75 HSD11B1 (0.41) OPRM1OPRL1
SCHEMBL20724940 0.74 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL29124603 0.73 TSHR (0.37) DPP4OPRM1OPRL1
SCHEMBL17445697 0.73 DPP4 (0.34) DPP4
SCHEMBL7158468 0.72 CTSK (0.37) DPP4OPRM1OPRL1
SCHEMBL17445692 0.71 CYP2C19 (0.36) DPP4
SCHEMBL2805815 0.71 CYP2C19 (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-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 DPP4 2364/4885OPRM1 3/4885OPRL1 1/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 DPP4 2364/4885OPRM1 3/4885OPRL1 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.