SCHEMBL17447486

SCHEMBL17447486

CCCC(C)(C)C(=O)NCC(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
CCR2 P41597 1/20 0.34
SMO Q99835 1/20 0.33
RIPK1 Q13546 1/20 0.32
TRPA1 O75762 2/20 0.30
ELANE P08246 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
SCHEMBL17447494 0.89 CNR1 (0.42) MEN1KMT2ATDP1CNR1ALDH1A1
SCHEMBL19176866 0.85 CNR1 (0.32) CNR1ALDH1A1
SCHEMBL19137904 0.84 RIPK1 (0.44) CNR1ALDH1A1DRD2DRD4CCR2
SCHEMBL17447534 0.81 DRD2 (0.39) MEN1KMT2ATDP1CNR1ALDH1A1
SCHEMBL17676858 0.80 MEN1 (0.37) MEN1KMT2ATDP1CNR1ALDH1A1
SCHEMBL16943871 0.80 MEN1 (0.37) MEN1KMT2ATDP1CNR1ALDH1A1
SCHEMBL13036470 0.79 MEN1 (0.47) MEN1KMT2ATDP1CNR1ALDH1A1
SCHEMBL23502424 0.78 MEN1 (0.41) MEN1KMT2ATDP1CNR1ALDH1A1
SCHEMBL17447485 0.78 TDP1 (0.41) MEN1KMT2ATDP1CNR1ALDH1A1
SCHEMBL23798597 0.78 ALDH1A1 (0.32) ALDH1A1

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-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
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.