SCHEMBL4202111

SCHEMBL4202111

CS(=O)(=O)Nc1ccc(OCC(O)CNCCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 1.00
SLC6A2 P23975 1/20 1.00
SLC6A3 Q01959 1/20 1.00
ADRB2 P07550 1/20 0.74
ADRB1 P08588 1/20 0.74
ADRB3 P13945 1/20 0.74

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
SCHEMBL4206117 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A3ADRB2ADRB1
Hydrochloric Acid SCHEMBL4358406 0.99 KCNH2 (0.98) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL4203762 0.89 KCNH2 (0.80) KCNH2SLC6A2SLC6A3
SCHEMBL4214751 0.89 KCNH2 (0.80) KCNH2SLC6A2SLC6A3
SCHEMBL8015152 0.87 KCNH2 (1.00) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL1422844 0.87 KCNH2 (0.76) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL1422843 0.87 KCNH2 (0.76) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL1422256 0.87 KCNH2 (0.76) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL13948498 0.86 ADRB3 (0.78) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL5003305 0.86 ADRB3 (0.78) KCNH2SLC6A2SLC6A3ADRB2ADRB1

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-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US claimed
US-20090023791-A1 PH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2009-01-22 US disclosed
US-20090023791-A1 PH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2009-01-22 US disclosed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 US disclosed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 US disclosed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 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 (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-20090023791-A1 PH-dependent NMDA receptor antagonists GRIN1, GRIA4, GRIA1 KCNH2 287/4885SLC6A2 2149/4885SLC6A3 2166/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A KCNH2 382/4885SLC6A2 2030/4885SLC6A3 999/4885

“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.