SCHEMBL17447489

SCHEMBL17447489

CCCC(C)(C)C(=O)NCC#N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSS P25774 8/20 0.40
CTSK P43235 7/20 0.40
MCL1 Q07820 2/20 0.38
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
CNR1 P21554 1/20 0.36
CCR2 P41597 1/20 0.35
CTSL P07711 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL20220995 0.89 CTSS (0.42) CTSSCTSKMCL1DRD2DRD4
SCHEMBL19169698 0.84 CTSS (0.35) CTSSCTSKMCL1CTSLCTSB
SCHEMBL19176743 0.83 DRD2 (0.39) MEN1KMT2ATDP1MCL1DRD2
SCHEMBL17447513 0.79 CTSS (0.40) CTSSCTSKCCR2CTSLCTSB
SCHEMBL19882341 0.79 KMT2A (0.46) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL25828556 0.78 MEN1 (0.40) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL18876819 0.77 CNR1 (0.45) MEN1KMT2ATDP1MCL1DRD2
SCHEMBL8691068 0.76 CTSK (0.40) CTSSCTSKMCL1CTSLCTSB
SCHEMBL19188293 0.75 MEN1 (0.43) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL6019293 0.74 CTSS (0.39) CTSSCTSKMCL1CTSLCTSB

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
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 MEN1 4070/4885KMT2A 2875/4885TDP1 4487/4885

“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.