SCHEMBL2021902

SCHEMBL2021902

Oc1ccc(OC[C@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.74
KCNH2 Q12809 2/20 0.69
HTT P42858 4/20 0.66
ALDH1A1 P00352 4/20 0.66
USP2 O75604 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
TSHR P16473 1/20 0.66
MAPT P10636 4/20 0.64
KDM4E B2RXH2 3/20 0.64
MAPK1 P28482 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KMT2A Q03164 2/20 0.62
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 1/20 0.59
ABCB1 P08183 5/20 0.58
LMNA P02545 3/20 0.57
HPGD P15428 1/20 0.57
RECQL P46063 1/20 0.57
CACNA1G O43497 1/20 0.56

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
SCHEMBL2021899 1.00 HTR7 (0.74) HTR7KCNH2HTTALDH1A1USP2
SCHEMBL2021898 1.00 HTR7 (0.74) HTR7KCNH2HTTALDH1A1USP2
SCHEMBL30001672 0.91 HTR7 (0.75) HTR7HTTALDH1A1USP2SMN1; SMN2
SCHEMBL4750776 0.91 HTR7 (0.75) HTR7HTTALDH1A1USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL11811848 0.88 HTR7 (0.71) HTR7KCNH2HTTALDH1A1USP2
SCHEMBL23097680 0.87 ABCB1 (0.76) MAPTABCB1
SCHEMBL8007076 0.87 ABCB1 (0.76) MAPTABCB1
SCHEMBL2021392 0.87 LMNA (0.73) HTR7KCNH2HTTALDH1A1SMN1; SMN2
SCHEMBL2021391 0.87 LMNA (0.73) HTR7KCNH2HTTALDH1A1SMN1; SMN2
SCHEMBL2021389 0.87 LMNA (0.73) HTR7KCNH2HTTALDH1A1SMN1; 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 HTR7 443/4885KCNH2 137/4885HTT 1416/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 HTR7 111/4885KCNH2 469/4885HTT 578/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 HTR7 435/4885KCNH2 135/4885HTT 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.