SCHEMBL2021083

SCHEMBL2021083

NC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(F)cc3F)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.64
USP2 O75604 1/20 0.54
ABCB1 P08183 5/20 0.52
MAPT P10636 6/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1G O43497 2/20 0.49
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2021080 1.00 KCNH2 (0.64) KCNH2USP2ABCB1MAPTLMNA
SCHEMBL2021162 0.88 LMNA (0.66) KCNH2USP2ABCB1MAPTLMNA
SCHEMBL2021164 0.88 LMNA (0.66) KCNH2USP2ABCB1MAPTLMNA
SCHEMBL2017338 0.86 KCNH2 (0.81) KCNH2ABCB1MAPTLMNASMN1; SMN2
SCHEMBL2024028 0.86 KCNH2 (0.81) KCNH2ABCB1MAPTLMNASMN1; SMN2
SCHEMBL2017339 0.86 KCNH2 (0.81) KCNH2ABCB1MAPTLMNASMN1; SMN2
SCHEMBL2017013 0.85 KCNH2 (0.69) KCNH2ABCB1MAPTLMNASMN1; SMN2
SCHEMBL2017016 0.85 KCNH2 (0.69) KCNH2ABCB1MAPTLMNASMN1; SMN2
SCHEMBL2021395 0.84 KCNH2 (0.58) KCNH2ABCB1MAPTLMNASMN1; SMN2
SCHEMBL2021399 0.84 KCNH2 (0.58) KCNH2ABCB1MAPTLMNASMN1; 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 6 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-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 137/4885USP2 4387/4885ABCB1 2227/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885USP2 3958/4885ABCB1 2367/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885USP2 4375/4885ABCB1 2170/4885

“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.