SCHEMBL6324059

SCHEMBL6324059

COC(=O)C(N)(CN)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.56
SRC P12931 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
CES1 P23141 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 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
SCHEMBL26985796 0.86 KCNN4 (0.56) KCNN4SRCKMT2AMEN1OPRM1
SCHEMBL14231962 0.86 KCNN4 (0.56) KCNN4SRCKMT2AMEN1OPRM1
SCHEMBL4600537 0.84 KCNN4 (0.40) KCNN4TAAR1KMT2ACYP1A2CYP2D6
SCHEMBL27579783 0.83 PIN1 (0.49) KCNN4TAAR1KMT2AMEN1MAPT
SCHEMBL1624876 0.83 CYP2C19 (0.44) KCNN4TAAR1KMT2ACYP1A2CYP2D6
SCHEMBL5307776 0.83 KCNN4 (0.53) KCNN4SRCTAAR1KMT2AMEN1
SCHEMBL2987235 0.81 HTT (0.53) KCNN4SRCKMT2AMEN1OPRM1
SCHEMBL20257448 0.81 KCNN4 (0.51) KCNN4SRCKMT2AMEN1OPRM1
SCHEMBL20241669 0.81 KCNN4 (0.51) KCNN4SRCKMT2AMEN1OPRM1
SCHEMBL27575980 0.81 KCNN4 (0.51) KCNN4SRCKMT2AMEN1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849650-B2 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-02-01 US disclosed
US-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THORSETT EUGENE D (US) 2003-07-10 US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 US disclosed
CN-1253554-A Heterocyclic compounds and their use for inhibiting 'beta'-amyloid peptide ELAN MEDICINE CO (US) 2000-05-17 CN disclosed
EP-0968198-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE Elan Pharmaceuticals, Inc. (US) 2000-01-05 EP disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 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-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP KCNN4 4776/4885SRC 1981/4885TAAR1 3000/4885

“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.