SCHEMBL2400339

SCHEMBL2400339

CC(Oc1ccccc1)C(=O)N1CCC2(CC1)CC(C(=O)NCc1ccccc1)=NO2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TTR P02766 1/20 0.41
PARP1 P09874 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCR1 P32246 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
SCHEMBL2400940 0.87 ITGB3 (0.42) ALOX15HSD17B10KMT2AMEN1APOBEC3A
SCHEMBL6410948 0.85 NPC1 (0.44) ALOX15HSD17B10TTRPARP1KMT2A
SCHEMBL2400307 0.83 CYP2D6 (0.44) ALOX15KMT2AMEN1
SCHEMBL2400325 0.81 GPR119 (0.54) KMT2AMEN1SMN1; SMN2
SCHEMBL2399342 0.80 CYP2D6 (0.52) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2401701 0.78 GRM5 (0.47) KMT2A
SCHEMBL2403257 0.78 GPR119 (0.42) KMT2ARAB9A
SCHEMBL2401881 0.78 CYP2D6 (0.41) KMT2A
SCHEMBL2400949 0.78 CYP3A4 (0.50)
SCHEMBL2404875 0.76 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2NPC1RAB9A

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 6 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-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 ALOX15 1163/4885HSD17B10 732/4885TTR 2177/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ALOX15 931/4885HSD17B10 348/4885TTR 1511/4885

“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.