SCHEMBL2400943

SCHEMBL2400943

CCSCCNC(=O)C1=NOC2(CCN(S(=O)(=O)CC34CCC(CC3=O)C4(C)C)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
CXCR3 P49682 4/20 0.44

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
SCHEMBL6409808 0.87 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2400849 0.87 MEN1 (0.53) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6410166 0.84 KDM4E (0.62) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6410169 0.76 KDM4E (0.59) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2401328 0.76 GAA (0.34) MEN1KMT2A
SCHEMBL29040265 0.71 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL11623286 0.71 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6667166 0.69 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7756182 0.69 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL1298199 0.69 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2MEN1KMT2AL3MBTL1

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 3 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
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

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 KDM4E 356/4885SMN1; SMN2 1407/4885MEN1 2995/4885

“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.