SCHEMBL2403568

SCHEMBL2403568

CC(NC(=O)C1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 5/20 0.38
CYP3A5 P20815 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A9 P48067 1/20 0.37
CNR1 P21554 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
SCHEMBL2402616 0.86 KMT2A (0.38) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL2401322 0.81 NAMPT (0.44) NAMPTCYP2C9KMT2ALMNASMN1; SMN2
SCHEMBL2404636 0.79 ATM (0.43) CYP2C9KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6409831 0.78 ATM (0.55) KMT2ASMN1; SMN2MAPTUSP2ATM
SCHEMBL2403570 0.78 TDP1 (0.44) NAMPTKMT2ALMNASMN1; SMN2MAPT
SCHEMBL2400043 0.77 USP2 (0.42) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL2401703 0.72 L3MBTL1 (0.52) KMT2ALMNASMN1; SMN2MEN1MAPK1
SCHEMBL2580532 0.72 LMNA (0.43) KMT2ALMNAMEN1MAPK1ALDH1A1
SCHEMBL2403236 0.72 ALDH1A1 (0.40) CYP2C9LMNASMN1; SMN2MAPTATM
SCHEMBL2399296 0.71 L3MBTL1 (0.49) LMNASMN1; SMN2MAPTALDH1A1CYP3A4

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 NAMPT 1402/4885CYP2C9 59/4885KMT2A 3833/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 NAMPT 1302/4885CYP2C9 50/4885KMT2A 3636/4885

“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.