SCHEMBL5003301

SCHEMBL5003301

CCN(CC(O)COc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.53
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48

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
Hydrochloric Acid SCHEMBL4358403 0.87 KCNH2 (0.66) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5022867 0.79 KCNH2 (0.54) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9655108 0.78 ADRB2 (0.56) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4209771 0.76 KCNH2 (0.47) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4196753 0.75 ALDH1A1 (0.58) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4204097 0.75 ALDH1A1 (0.58) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13948498 0.75 ADRB3 (0.78) KCNH2
SCHEMBL5003305 0.75 ADRB3 (0.78) KCNH2
SCHEMBL10827938 0.71 ALDH1A1 (0.69) MAPK1MEN1MAPTKMT2A
SCHEMBL4209774 0.70 L3MBTL1 (0.48) KCNH2CYP3A4CYP2D6MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP claimed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US claimed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP claimed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 WO claimed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 US disclosed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP disclosed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US disclosed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP disclosed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 WO 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-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A KCNH2 382/4885CYP1A2 4425/4885CYP3A4 3011/4885

“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.