SCHEMBL2403570

SCHEMBL2403570

CN(Cc1cccnc1)C(=O)C1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.40
PDE7B Q9NP56 1/20 0.40
MAPT P10636 2/20 0.40
NAMPT P43490 3/20 0.40
POLB P06746 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
GRM5 P41594 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
GPBAR1 Q8TDU6 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
SCHEMBL6410069 0.87 TDP1 (0.42) TDP1KMT2ASMN1; SMN2LMNAATM
SCHEMBL2401324 0.81 KDM4E (0.43) KMT2ALMNANAMPTMEN1GAA
SCHEMBL2404639 0.79 OPRM1 (0.47) TDP1KMT2ALMNAATMMAPT
SCHEMBL6409831 0.78 ATM (0.55) TDP1KMT2ASMN1; SMN2ATMMAPT
SCHEMBL2403568 0.78 NAMPT (0.42) TDP1KMT2ASMN1; SMN2LMNAATM
SCHEMBL6411587 0.77 HSD17B10 (0.48) TDP1KMT2ASMN1; SMN2LMNAATM
SCHEMBL2404636 0.74 ATM (0.43) TDP1KMT2ASMN1; SMN2LMNAATM
SCHEMBL2401137 0.74 TRPV4 (0.49) TDP1KMT2ALMNAATMMAPT
SCHEMBL2402616 0.74 KMT2A (0.38) TDP1KMT2ASMN1; SMN2LMNAATM
SCHEMBL2399296 0.70 L3MBTL1 (0.49) TDP1SMN1; SMN2LMNAMAPTPOLB

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-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-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 TDP1 3897/4885KMT2A 3833/4885SMN1; SMN2 1584/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 TDP1 3570/4885KMT2A 3636/4885SMN1; SMN2 1407/4885

“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.