SCHEMBL19169698

SCHEMBL19169698

CC(C)(C)CCC(C)(C)C(=O)NCC#N

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.35
CTSK P43235 11/20 0.35
CTSL P07711 3/20 0.33
CTSB P07858 2/20 0.33
MCL1 Q07820 2/20 0.32

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
SCHEMBL17447489 0.84 MEN1 (0.41) CTSSCTSKCTSLCTSBMCL1
SCHEMBL19169555 0.83 MAPT (0.34) MCL1
SCHEMBL20220995 0.81 CTSS (0.42) CTSSCTSKCTSLMCL1
SCHEMBL17447513 0.79 CTSS (0.40) CTSSCTSKCTSLCTSB
SCHEMBL27381292 0.77 RIPK1 (0.35) MCL1
SCHEMBL8691068 0.76 CTSK (0.40) CTSSCTSKCTSLCTSBMCL1
SCHEMBL6019293 0.74 CTSS (0.39) CTSSCTSKCTSLCTSBMCL1
SCHEMBL19169711 0.73 MCL1 (0.38) CTSSCTSKCTSLCTSBMCL1
SCHEMBL19169716 0.73 CNR1 (0.33)
SCHEMBL19169785 0.73 CNR1 (0.50)

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-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

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 CTSS 4051/4885CTSK 4551/4885CTSL 633/4885

“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.