SCHEMBL15445654

SCHEMBL15445654

Cc1ccc(OCC(O)CNC/C=C/c2ccc(Cl)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDK4 P11802 2/20 0.41
CDK2 P24941 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13656317 0.85 KMT2A (0.42) KMT2AMEN1HTTSMN1; SMN2SLC6A2
SCHEMBL2026331 0.78 KCNH2 (0.66) CYP1A2CYP3A4CYP2C9CYP2C19SLC6A2
SCHEMBL2026333 0.78 KCNH2 (0.66) CYP1A2CYP3A4CYP2C9CYP2C19SLC6A2
SCHEMBL2026335 0.78 KCNH2 (0.66) CYP1A2CYP3A4CYP2C9CYP2C19SLC6A2
SCHEMBL14864559 0.76 GRIN1 (0.41) KMT2AMEN1SLC6A2SLC6A3KCNH2
SCHEMBL29670413 0.72 ADRB1 (0.53) KMT2AMEN1HTTSMN1; SMN2KCNH2
SCHEMBL22640101 0.72 KMT2A (0.65) KMT2AMEN1HTTSMN1; SMN2SLC6A2
SCHEMBL22639927 0.72 KMT2A (0.65) KMT2AMEN1HTTSMN1; SMN2SLC6A2
SCHEMBL14412442 0.71 KMT2A (0.71) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL12576743 0.70 KCNH2 (0.72) KMT2ASLC6A2SLC6A3KCNH2

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-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 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-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KMT2A 410/4885MEN1 2505/4885HTT 578/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KMT2A 701/4885MEN1 3627/4885HTT 1298/4885

“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.