SCHEMBL2018682

SCHEMBL2018682

O=C1Cc2cc(OCC(O)CN3CCN(c4ccc(F)cc4)CC3)ccc2N1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.82
MAPT P10636 5/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ABCB1 P08183 7/20 0.60
ALDH1A1 P00352 2/20 0.60
CACNA1G O43497 1/20 0.59
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL4256895 1.00 KCNH2 (0.82) KCNH2MAPTMEN1KMT2AABCB1
SCHEMBL2018681 1.00 KCNH2 (0.82) KCNH2MAPTMEN1KMT2AABCB1
SCHEMBL2017061 0.91 KCNH2 (0.82) KCNH2MAPTMEN1KMT2AABCB1
SCHEMBL2017057 0.91 KCNH2 (0.82) KCNH2MAPTMEN1KMT2AABCB1
SCHEMBL2023583 0.91 KCNH2 (0.82) KCNH2MAPTMEN1KMT2AABCB1
SCHEMBL2024143 0.91 KCNH2 (0.84) KCNH2MAPTMEN1KMT2AALDH1A1
SCHEMBL2024146 0.91 KCNH2 (0.84) KCNH2MAPTMEN1KMT2AALDH1A1
SCHEMBL2019065 0.90 KCNH2 (0.79) KCNH2MAPTABCB1ALDH1A1CACNA1G
SCHEMBL2020624 0.90 KCNH2 (0.79) KCNH2MAPTABCB1ALDH1A1CACNA1G
SCHEMBL2019062 0.90 KCNH2 (0.79) KCNH2MAPTABCB1ALDH1A1CACNA1G

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
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-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
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
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 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 (3 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 137/4885MAPT 2477/4885MEN1 3672/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885MAPT 704/4885MEN1 2505/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885MAPT 2536/4885MEN1 3627/4885

“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.