SCHEMBL8015152

SCHEMBL8015152

Cc1ccc(CCNC[C@H](O)COc2ccc(NS(C)(=O)=O)cc2)cc1C

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 0.76
SLC6A3 Q01959 1/20 0.76
ADRB2 P07550 1/20 0.76
ADRB1 P08588 1/20 0.76
ADRB3 P13945 1/20 0.76

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
SCHEMBL4202111 0.87 KCNH2 (1.00) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL4206117 0.87 KCNH2 (1.00) KCNH2SLC6A2SLC6A3ADRB2ADRB1
Hydrochloric Acid SCHEMBL4358406 0.86 KCNH2 (0.98) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL9654030 0.85 ADRB1 (0.82) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL11251345 0.81 ADRB2 (0.71) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL8781201 0.79 ADRB1 (0.83) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL8588458 0.77 ADRB1 (0.71) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL7368283 0.76 ADRB2 (0.65) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL2024023 0.76 ADRB2 (0.70) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL2024020 0.76 ADRB2 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 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-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885SLC6A2 106/4885SLC6A3 107/4885

“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.