SCHEMBL3639638

SCHEMBL3639638

CCc1ccc(N2CCN(C[C@@H](O)COc3ccc(NC(N)=O)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.78
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 6/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.59
HTR7 P34969 3/20 0.58
ALOX15 P16050 1/20 0.57
ABCB1 P08183 3/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
REV1 Q9UBZ9 1/20 0.55

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
SCHEMBL2020858 1.00 KCNH2 (0.78) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2020856 1.00 KCNH2 (0.78) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2022546 0.92 KCNH2 (0.75) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2020732 0.92 KCNH2 (0.75) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2020729 0.92 KCNH2 (0.75) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12576575 0.91 MAPT (0.80) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2017198 0.91 KCNH2 (0.73) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2017194 0.91 KCNH2 (0.73) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2022541 0.91 KCNH2 (0.73) KCNH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2020427 0.90 KCNH2 (0.75) KCNH2MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023034589-A1 GLUN2B-SUBUNIT SELECTIVE ANTAGONISTS OF THE N-METHYL-D-ASPARTATE RECEPTORS WITH ENHANCED POTENCY AT ACIDIC PH EMORY UNIVERSITY (US) 2023-03-09 WO disclosed
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-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
EP-2170334-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION Emory University (US) 2010-04-07 EP 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 137/4885MEN1 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.