SCHEMBL5359104

SCHEMBL5359104

CC(C)(C)OC(=O)Nc1ncc(C(=O)NCC2CCN(S(=O)(=O)CCc3ccccc3)CC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
ACACB O00763 9/20 0.47
ACACA Q13085 7/20 0.47
HDAC6 Q9UBN7 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
FAAH O00519 1/20 0.44
F10 P00742 2/20 0.43
GRIN2B Q13224 1/20 0.40
DRD2 P14416 1/20 0.40
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5370156 0.82 HDAC6 (0.51) HDAC6CKS1BSKP1SKP2FAAH
SCHEMBL14425184 0.80 HDAC6 (0.52) HDAC6FAAHF10CYP2C19
SCHEMBL5363063 0.80 HDAC6 (0.52) KDM4EHDAC6CKS1BSKP1SKP2
SCHEMBL5368614 0.77 HDAC6 (0.55) HDAC6FAAHCYP2C19
SCHEMBL14425186 0.77 HDAC6 (0.51) HDAC6FAAHF10CYP2C19
SCHEMBL5362714 0.76 HDAC6 (0.59) HDAC6FAAHCYP2C19
SCHEMBL5352632 0.76 LMNA (0.48) KDM4EPKMACACBHDAC6CKS1B
SCHEMBL14425189 0.75 MEN1 (0.48) HDAC6F10
SCHEMBL4554072 0.75 MAPT (0.58) KDM4EPKMACACBACACAHDAC6
SCHEMBL6255157 0.74 GPR119 (0.45) KDM4EPKMACACBACACACKS1B

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 7 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
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-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 (1 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-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists GRIN1, GRIN2B, GRIN2A KDM4E 2754/4885PKM 3798/4885ACACB 3657/4885

“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.