SCHEMBL17447485

SCHEMBL17447485

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.39
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
CCR2 P41597 1/20 0.35
SMO Q99835 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FDPS P14324 1/20 0.33
RIPK1 Q13546 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 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
SCHEMBL16943871 0.93 MEN1 (0.37) TDP1MEN1KMT2ACNR1LMNA
SCHEMBL17676858 0.93 MEN1 (0.37) TDP1MEN1KMT2ACNR1LMNA
SCHEMBL19169570 0.84 MAOA (0.33) CNR1MAOAMAOBMETAP1
SCHEMBL12575372 0.83 RIPK1 (0.46) TDP1CNR1LMNAHSD17B10DRD2
SCHEMBL19176795 0.81 DRD2 (0.40) TDP1MEN1KMT2ACNR1LMNA
SCHEMBL23502424 0.80 MEN1 (0.41) TDP1MEN1KMT2ACNR1DRD2
SCHEMBL19882341 0.79 KMT2A (0.46) TDP1MEN1KMT2ACNR1LMNA
SCHEMBL17447486 0.78 MEN1 (0.40) TDP1MEN1KMT2ACNR1DRD2
SCHEMBL15434564 0.78 CNR1 (0.35) CNR1MAOAMAOB
SCHEMBL20866434 0.78 MAOA (0.34) MAOAMAOBRIPK1METAP1

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 TDP1 4487/4885MEN1 4070/4885KMT2A 2875/4885

“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.