SCHEMBL5358458

SCHEMBL5358458

CCOC(OCC)c1cc(C(=O)O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.46
KDM5A P29375 8/20 0.46
KDM5B Q9UGL1 8/20 0.46
KDM6B O15054 4/20 0.46
KDM5C P41229 4/20 0.46
KDM4E B2RXH2 3/20 0.46
KDM2A Q9Y2K7 3/20 0.46
KDM3A Q9Y4C1 3/20 0.46
KDM4A O75164 3/20 0.46
KDM4D Q6B0I6 3/20 0.46
MAPT P10636 2/20 0.46
TET3 O43151 1/20 0.46
BBOX1 O75936 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ASPH Q12797 1/20 0.46
TET2 Q6N021 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.46
KDM7A Q6ZMT4 1/20 0.46
KDM8 Q8N371 1/20 0.46
TET1 Q8NFU7 1/20 0.46

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
SCHEMBL5364217 0.85 JMJD6 (0.51) KDM4CKDM5AKDM5BKDM5CJMJD6
SCHEMBL16054683 0.79 KDM4C (0.50) KDM4CKDM5AKDM5BKDM6BKDM5C
SCHEMBL25933767 0.78 KDM5B (0.49) KDM4CKDM5AKDM5BKDM6BKDM5C
SCHEMBL1759894 0.76 KDM4C (0.55) KDM4CKDM5AKDM5BKDM6BKDM5C
SCHEMBL14836839 0.76 KDM4C (0.47) KDM4CKDM5AKDM5BKDM6BKDM5C
SCHEMBL19705976 0.75 KDM4C (0.46) KDM4CKDM5AKDM5BKDM6BKDM5C
SCHEMBL17545205 0.75 GABRP (0.56) KDM4CKDM5AKDM5BKDM6BKDM5C
SCHEMBL25933765 0.75 KDM4C (0.53) KDM4CKDM5AKDM5BKDM6BKDM5C
SCHEMBL23583774 0.74 KDM4C (0.57) KDM4CKDM5AKDM5BKDM6BKDM5C
SCHEMBL1992514 0.73 MAPT (0.57) KDM4CKDM5AKDM5BKDM6BKDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
EP-1390034-A4 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2005-07-13 EP disclosed
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines ALLEN CHRISTOPHER (US) 2004-10-14 US disclosed
EP-1399160-A4 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO INC (US) 2004-08-25 EP disclosed
EP-1399160-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES Merck & Co., Inc. (US) 2004-03-24 EP disclosed
EP-1390034-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-02-25 EP disclosed
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2003-06-26 US disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 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 (2 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-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A KDM4C 4014/4885KDM5A 2142/4885KDM5B 1523/4885
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists GRIN1, GRIN2B, GRIN2A KDM4C 4316/4885KDM5A 3207/4885KDM5B 2464/4885

“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.