SCHEMBL2400940

SCHEMBL2400940

CC(Oc1ccccc1)C(=O)N1CCC2(CC1)CC(C(=O)NCC1CC1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGB1 P05556 8/20 0.42
ITGAV P06756 8/20 0.42
ITGA2B P08514 8/20 0.42
ITGA5 P08648 7/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL2400339 0.87 ALOX15 (0.42) ALOX15HSD17B10THRBMEN1KMT2A
SCHEMBL6410275 0.86 ALOX15 (0.40) ALOX15HSD17B10KDM4EPKMTHRB
SCHEMBL2399855 0.80 NPC1 (0.48) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2405142 0.76 HDAC3 (0.47) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL6410948 0.75 NPC1 (0.44) ALOX15HSD17B10THRBMEN1KMT2A
SCHEMBL2402460 0.75 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL5364790 0.74 KDM4E (0.54) ALOX15HSD17B10KDM4EPKMMEN1
SCHEMBL2403421 0.73 EPHX2 (0.46) MEN1KMT2AHPGD
SCHEMBL2404620 0.73 NAMPT (0.48) KMT2A
SCHEMBL2404697 0.72 GNAI3 (0.39) ITGB3ITGB1ITGAVITGA2BITGA5

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 7 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
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 ITGB3 2298/4885ITGB1 2520/4885ITGAV 2596/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ITGB3 3411/4885ITGB1 3180/4885ITGAV 3949/4885

“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.