SCHEMBL2400710

SCHEMBL2400710

CCSc1ncccc1C(=O)N1CCC2(CC1)CC(C(=O)NCc1ccccc1)=NO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP46A1 Q9Y6A2 2/20 0.38
NSD2 O96028 1/20 0.38
CYP2C8 P10632 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15309181 0.87 KMT2A (0.44) KMT2ACYP3A4CYP2C9CYP2C19FNTA
SCHEMBL6410155 0.86 HPGD (0.39) ATMKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2403591 0.82 MAPK8 (0.57) ALDH1A1MAPK8
SCHEMBL2400949 0.79 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL2400307 0.79 CYP2D6 (0.44) KMT2ACYP2C19CYP1A2MAPT
SCHEMBL2399175 0.79 KMT2A (0.47) ATMKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL2402955 0.78 KMT2A (0.47) KMT2ACYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL15309148 0.76 KMT2A (0.57) KMT2AFNTAFNTBALDH1A1L3MBTL1
SCHEMBL2404875 0.76 SMN1; SMN2 (0.49) KMT2ACYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL2399342 0.76 CYP2D6 (0.52) KMT2ACYP3A4CYP2C9CYP2C19CYP1A2

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 ATM 4126/4885KMT2A 3833/4885CYP3A4 3/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ATM 3927/4885KMT2A 3636/4885CYP3A4 24/4885

“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.