SCHEMBL6410166

SCHEMBL6410166

CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CC1)CC(C(=O)O)=NO3)C(=O)C2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CXCR3 P49682 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6410169 0.86 KDM4E (0.59) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL2400943 0.84 KDM4E (0.50) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL2400849 0.82 MEN1 (0.53) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL11623286 0.79 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL29040265 0.79 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL6409808 0.77 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL7756182 0.76 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL6667166 0.76 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL1298199 0.76 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL6783522 0.74 SMN1; SMN2 (0.75) KDM4ESMN1; SMN2MEN1KMT2ACXCR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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 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
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
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 (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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 KDM4E 67/4885SMN1; SMN2 1584/4885MEN1 2802/4885

“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.