SCHEMBL17446963

SCHEMBL17446963

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 2/20 0.30
OPRL1 P41146 2/20 0.30
LMNA P02545 1/20 0.30
SLC15A2 Q16348 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
SCHEMBL31124660 0.82 LMNA (0.32) OPRM1OPRL1LMNA
SCHEMBL17445695 0.79 DPP4 (0.35)
SCHEMBL17446960 0.79 OPRM1 (0.36) ALDH1A1OPRM1OPRL1
SCHEMBL31124625 0.77 CYP1A2 (0.38) ALDH1A1LMNA
SCHEMBL17294314 0.72 LMNA (0.35) LMNA
SCHEMBL17446896 0.72
SCHEMBL14323461 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17445697 0.71 DPP4 (0.34)
SCHEMBL17447343 0.70
SCHEMBL21997570 0.69 KDM1A (0.32)

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
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 EP disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-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-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 ALDH1A1 386/4885OPRM1 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.