SCHEMBL2019935

SCHEMBL2019935

CCc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.80
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 5/20 0.60
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR7 P34969 4/20 0.54
ALOX15 P16050 1/20 0.51
DRD2 P14416 1/20 0.50

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
SCHEMBL2019936 1.00 KCNH2 (0.80) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL2021879 1.00 KCNH2 (0.80) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL2020835 0.93 KCNH2 (0.77) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL2020097 0.93 KCNH2 (0.77) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL2020096 0.93 KCNH2 (0.77) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL4253472 0.92 KCNH2 (0.79) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL2020466 0.92 KCNH2 (0.79) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL2020464 0.92 KCNH2 (0.79) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL2020041 0.91 KCNH2 (0.75) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL2017615 0.91 KCNH2 (0.75) KCNH2MEN1KMT2AMAPTALDH1A1

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 13 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-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US 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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 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-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 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
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

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 137/4885MEN1 3672/4885KMT2A 685/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885MEN1 2505/4885KMT2A 410/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885MEN1 3627/4885KMT2A 701/4885

“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.