SCHEMBL5355377

SCHEMBL5355377

Nc1ccnc(NCC2CCN(S(=O)(=O)CCc3ccccc3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.49
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
VCP P55072 1/20 0.43
USP30 Q70CQ3 2/20 0.42
OGA O60502 2/20 0.41
HRH4 Q9H3N8 1/20 0.39
CHRNA7 P36544 1/20 0.38

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 0.88 GRIN2B (0.62) GRIN2BFAAHLMNAHDAC6
SCHEMBL5348499 0.88 GRIN2B (0.49) GRIN2BFAAHLMNAHDAC6VCP
SCHEMBL5353594 0.87 GRIN2B (0.52) GRIN2BFAAHLMNAHDAC6VCP
SCHEMBL5348488 0.83 FAAH (0.42) GRIN2BFAAHLMNAHDAC6
SCHEMBL5356278 0.81 NPY5R (0.56) LMNA
SCHEMBL5350879 0.79 GRIN2B (0.57) GRIN2BHDAC6
SCHEMBL5352742 0.79 GRIN2B (0.50) GRIN2BFAAHHDAC6
SCHEMBL5355745 0.79 GRIN2B (0.57) GRIN2BFAAHLMNAHDAC6
SCHEMBL5353978 0.79 FAAH (0.42) GRIN2BFAAHLMNAHDAC6
SCHEMBL5358153 0.78 FAAH (0.48) GRIN2BFAAHLMNAHDAC6

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 2/4885FAAH 545/4885LMNA 4767/4885
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A GRIN2B 4/4885FAAH 304/4885LMNA 1404/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A GRIN2B 2/4885FAAH 557/4885LMNA 4782/4885

“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.