SCHEMBL5350879

SCHEMBL5350879

Cc1ccc(CCS(=O)(=O)N2CCC(CNc3ncccn3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.57
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL5348543 0.90 GRIN2B (0.62) GRIN2BHDAC6
SCHEMBL5352742 0.89 GRIN2B (0.50) GRIN2BHDAC6
SCHEMBL5355745 0.89 GRIN2B (0.57) GRIN2BHDAC6
SCHEMBL5348499 0.83 GRIN2B (0.49) GRIN2BHDAC6
SCHEMBL5358153 0.79 FAAH (0.48) GRIN2BALDH1A1HPGDHDAC6
SCHEMBL5358144 0.79 GRIN2B (0.58) GRIN2B
SCHEMBL5355377 0.79 GRIN2B (0.49) GRIN2BHDAC6
SCHEMBL5365327 0.77 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDHDAC6
SCHEMBL5368386 0.77 F10 (0.51) MEN1KMT2AALDH1A1HPGDHDAC6
SCHEMBL5353594 0.77 GRIN2B (0.52) GRIN2BHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7053089-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2006-05-30 US disclosed
EP-1379520-B1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2006-04-26 EP disclosed
US-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists MERCK SHARP & DOHME CORP. 2004-10-21 US disclosed
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines ALLEN CHRISTOPHER (US) 2004-10-14 US disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 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-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists GRIN1, GRIN2B, GRIN2A GRIN2B 2/4885MEN1 4084/4885KMT2A 988/4885
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A GRIN2B 4/4885MEN1 1658/4885KMT2A 1079/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A GRIN2B 2/4885MEN1 3991/4885KMT2A 854/4885

“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.