SCHEMBL2402983

SCHEMBL2402983

CCCC(=O)N1CCC2(CC1)CC(C(=O)NC1CCN(C(=O)OCC)CC1)=NO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
HTT P42858 1/20 0.41
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL6411672 0.90 L3MBTL1 (0.37) L3MBTL1TP53ALDH1A1KMT2AMEN1
SCHEMBL2400257 0.82 PLG (0.45) L3MBTL1TP53ALDH1A1KMT2AMEN1
SCHEMBL2400786 0.79 KDM4E (0.47) L3MBTL1TP53ALDH1A1KMT2AMEN1
SCHEMBL2399891 0.79 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL2400832 0.76 GPR119 (0.37) L3MBTL1KMT2AMEN1POLBRAB9A
SCHEMBL2401265 0.74 KDM4E (0.53) L3MBTL1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL2584142 0.73 MAPT (0.49) KMT2AMEN1MAPK1LMNAPOLB
SCHEMBL2402512 0.73 EPHX2 (0.49) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6411301 0.73 SMN1; SMN2 (0.37) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL2404697 0.72 GNAI3 (0.39) L3MBTL1KMT2AMEN1EPHX1EPHX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US disclosed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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 (2 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 L3MBTL1 4868/4885TP53 3890/4885ALDH1A1 412/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 L3MBTL1 4865/4885TP53 3433/4885ALDH1A1 156/4885

“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.