SCHEMBL2399175

SCHEMBL2399175

CSc1ncccc1C(=O)N1CCC2(CC1)CC(C(=O)NCC(C)C)=NO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGB1 P05556 2/20 0.37
ITGAV P06756 2/20 0.37
ITGA2B P08514 2/20 0.37
ITGA5 P08648 2/20 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
SCHEMBL6415557 0.85 KMT2A (0.45) KMT2AALDH1A1MEN1L3MBTL1LMNA
SCHEMBL15309148 0.84 KMT2A (0.57) KMT2AALDH1A1MEN1L3MBTL1LMNA
SCHEMBL2399133 0.83 AVPR1A (0.45) KMT2AALDH1A1MEN1LMNA
SCHEMBL2400710 0.79 ATM (0.43) KMT2AALDH1A1L3MBTL1HPGDATM
SCHEMBL2400895 0.77 POLB (0.46) KMT2AALDH1A1KDM4EGAA
SCHEMBL15309181 0.76 KMT2A (0.44) KMT2AALDH1A1MEN1L3MBTL1LMNA
SCHEMBL2400918 0.74 ALDH1A1 (0.43) KMT2AALDH1A1MEN1L3MBTL1USP2
SCHEMBL2402442 0.73 FASN (0.41) LMNAKDM4EHPGDITGB3ITGB1
SCHEMBL6417790 0.72 NPSR1 (0.53) LMNAKDM4E
SCHEMBL2401617 0.71 ITGB3 (0.41) KMT2AALDH1A1MEN1L3MBTL1LMNA

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 5 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-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 KMT2A 3833/4885ALDH1A1 412/4885MEN1 2802/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 KMT2A 3636/4885ALDH1A1 156/4885MEN1 2995/4885

“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.