SCHEMBL5348488

SCHEMBL5348488

Nc1nc(NCC2CCN(S(=O)(=O)CCc3ccccc3)CC2)ncc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
GRIN2B Q13224 5/20 0.42
LMNA P02545 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BCDIN3D Q7Z5W3 1/20 0.40
CHRM4 P08173 1/20 0.40
PRKCQ Q04759 3/20 0.39
NPY5R Q15761 2/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPY1R P25929 1/20 0.37
AQP1 P29972 1/20 0.37
NPY2R P49146 1/20 0.37

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
SCHEMBL5355377 0.83 GRIN2B (0.49) FAAHGRIN2BLMNAHDAC6
SCHEMBL5356278 0.82 NPY5R (0.56) LMNANPY5RALDH1A1ADRA2AMAPT
SCHEMBL5348543 0.81 GRIN2B (0.62) FAAHGRIN2BLMNAHDAC6
SCHEMBL5353978 0.80 FAAH (0.42) FAAHGRIN2BLMNAHDAC6BCDIN3D
SCHEMBL5348499 0.79 GRIN2B (0.49) FAAHGRIN2BLMNAHDAC6
SCHEMBL5353594 0.79 GRIN2B (0.52) FAAHGRIN2BLMNAHDAC6
SCHEMBL5355745 0.77 GRIN2B (0.57) FAAHGRIN2BLMNAHDAC6SMN1; SMN2
SCHEMBL5354534 0.75 GRIN2B (0.58) FAAHGRIN2BLMNAHDAC6SMN1; SMN2
SCHEMBL14425182 0.74 FAAH (0.49) FAAHGRIN2BLMNAHDAC6ALDH1A1
SCHEMBL5358153 0.74 FAAH (0.48) FAAHGRIN2BLMNAHDAC6SMN1; 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 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 FAAH 545/4885GRIN2B 2/4885LMNA 4767/4885
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A FAAH 304/4885GRIN2B 4/4885LMNA 1404/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A FAAH 557/4885GRIN2B 2/4885LMNA 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.