SCHEMBL17447494

SCHEMBL17447494

CCCCC(C)(C)C(=O)NCC(=O)NC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACAT1 P24752 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 1/20 0.33
CCR2 P41597 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CXCR4 P61073 1/20 0.33
FAAH O00519 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL17447486 0.89 MEN1 (0.40) CNR1DRD2DRD4ALDH1A1CCR2
SCHEMBL17447528 0.83 CNR1 (0.43) CNR1DRD2DRD4MAPTALDH1A1
SCHEMBL19176866 0.81 CNR1 (0.32) CNR1ALDH1A1
SCHEMBL19137904 0.81 RIPK1 (0.44) CNR1DRD2DRD4ALDH1A1CCR2
SCHEMBL4638149 0.81 CCR2 (0.40) CNR1DRD2DRD4KDM4ETP53
SCHEMBL17447496 0.77 ALDH1A1 (0.42) CNR1DRD2DRD4KDM4ETP53
SCHEMBL22317358 0.76 CNR1 (0.47) CNR1DRD2DRD4KDM4ETP53
SCHEMBL23798597 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20221195 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8632431 0.75 CCR2 (0.46) CNR1KDM4ETP53CYP3A4MAPT

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 CNR1 45/4885DRD2 414/4885DRD4 401/4885

“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.