SCHEMBL2400740

SCHEMBL2400740

O=C(Nc1ccc(CP(=O)(O)O)cc1)C1=NOC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ENPP2 Q13822 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.36
OPRD1 P41143 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL2401882 0.88 GAA (0.42) MAPTSMN1; SMN2JAK2JAK1NPSR1
SCHEMBL6409697 0.80 TSHR (0.48) MAPTJAK2JAK1NPSR1GAA
SCHEMBL2403146 0.79 CYP2C19 (0.43) MAPTSMN1; SMN2JAK2JAK1NPSR1
SCHEMBL2400767 0.75 TSHR (0.44) MAPTJAK2JAK1NPSR1GAA
SCHEMBL6409739 0.75 TSHR (0.41) MAPTJAK2JAK1NPSR1GAA
SCHEMBL2401310 0.74 MAPK1 (0.46) SMN1; SMN2KMT2AALDH1A1RAB9AOPRD1
SCHEMBL2399883 0.72 MAPT (0.48) MAPTNPSR1GAATSHRCYP2C19
SCHEMBL2401835 0.72 MERTK (0.42) MAPTNPSR1HPGDALDH1A1HSD17B10
SCHEMBL6409700 0.72 TSHR (0.47) MAPTJAK2JAK1NPSR1GAA
SCHEMBL2403707 0.70 SIGMAR1 (0.46) GAATSHRCYP2C19KMT2AALDH1A1

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
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 MAPT 4329/4885SMN1; SMN2 1584/4885ENPP2 3123/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 MAPT 3594/4885SMN1; SMN2 1407/4885ENPP2 3412/4885

“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.