SCHEMBL5022877

SCHEMBL5022877

CC(NCC(O)COc1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46

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 SCHEMBL4358412 0.88 KCNH2 (0.63) KCNH2SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4203762 0.80 KCNH2 (0.80) KCNH2SLC6A2SLC6A3
SCHEMBL4214751 0.80 KCNH2 (0.80) KCNH2SLC6A2SLC6A3
SCHEMBL5022867 0.76 KCNH2 (0.54) KCNH2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL5003316 0.75 KMT2A (0.48) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9655120 0.75 KMT2A (0.67) KCNH2ADRB2ADRB1ADRB3MEN1
SCHEMBL4196759 0.73 KMT2A (0.53) SLC6A2SLC6A3ADRB2ADRB1ADRB3
SCHEMBL4209781 0.72 L3MBTL1 (0.51) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL4206039 0.71 KCNH2 (0.64) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL4205925 0.71 KCNH2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 382/4885SLC6A2 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.