SCHEMBL2400775

SCHEMBL2400775

CC(C)CC(NC(=O)C1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 1/20 0.39
RORC P51449 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15309168 0.91 SMN1; SMN2 (0.45) CACNA1BSMN1; SMN2GAAHPGDKMT2A
SCHEMBL2400030 0.84 NPSR1 (0.44) SMN1; SMN2GAAKMT2AMEN1LMNA
SCHEMBL2400978 0.82 PKM (0.42) SMN1; SMN2KMT2AGPR119MEN1MAPT
SCHEMBL6411431 0.80 HTT (0.51) CACNA1BSMN1; SMN2GAAKMT2AL3MBTL1
SCHEMBL2401322 0.79 NAMPT (0.44) CACNA1BSMN1; SMN2GAAKMT2AL3MBTL1
SCHEMBL2399309 0.77 KMT2A (0.47) GAAKMT2AL3MBTL1MEN1LMNA
SCHEMBL2401265 0.77 KDM4E (0.53) SMN1; SMN2GAAKMT2AL3MBTL1RORC
SCHEMBL2402766 0.76 HTT (0.42) CACNA1BSMN1; SMN2GAAKMT2AL3MBTL1
SCHEMBL2400386 0.75 KMT2A (0.47) GAAHPGDKMT2AL3MBTL1MEN1
SCHEMBL6410200 0.75 KDM4E (0.44) SMN1; SMN2GAAKMT2AL3MBTL1RORC

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 CACNA1B 1368/4885SMN1; SMN2 1407/4885GAA 1186/4885

“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.