SCHEMBL2404900

SCHEMBL2404900

COC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C1=NOC2(CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.45
PKM P14618 3/20 0.43
ALOX12 P18054 1/20 0.42
MAPT P10636 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
CA2 P00918 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
SCHEMBL2404874 0.91 ALDH1A1 (0.48) ALDH1A1KMT2APOLBHTTLMNA
SCHEMBL2400030 0.81 NPSR1 (0.44) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6414863 0.80 ALDH1A1 (0.47) ALDH1A1KMT2APOLBHTTLMNA
SCHEMBL6410958 0.77 PKM (0.52) ALDH1A1KMT2APOLBHTTLMNA
SCHEMBL2404676 0.75 ALDH1A1 (0.45) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL2400743 0.75 ALDH1A1 (0.49) ALDH1A1KMT2APOLBHTTLMNA
SCHEMBL2405020 0.74 MEN1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL2401380 0.74 MMP2 (0.46) KMT2AHTTLMNAMEN1SMN1; SMN2
SCHEMBL6410300 0.74 SMN1; SMN2 (0.62) ALDH1A1KMT2APOLBHTTLMNA
SCHEMBL2579306 0.73 MEN1 (0.41) ALDH1A1KMT2AMEN1GAAMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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 ALDH1A1 412/4885KMT2A 3833/4885POLB 3316/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ALDH1A1 156/4885KMT2A 3636/4885POLB 1636/4885

“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.