SCHEMBL4201493

SCHEMBL4201493

CCCCN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 1.00
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
MAPK1 P28482 1/20 0.77
CYP2C19 P33261 1/20 0.77

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
SCHEMBL4204736 1.00 KCNH2 (1.00) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4214682 0.94 KCNH2 (1.00) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4203006 0.94 KCNH2 (1.00) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4209631 0.93 KCNH2 (0.87) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4214575 0.93 KCNH2 (1.00) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4204026 0.93 KCNH2 (1.00) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4217056 0.92 KCNH2 (0.88) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4214577 0.92 KCNH2 (0.88) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4217073 0.88 KCNH2 (0.80) KCNH2
SCHEMBL13948478 0.87 KCNH2 (0.80) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9

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-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-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 287/4885CYP1A2 4160/4885CYP3A4 1940/4885
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.