SCHEMBL6328574

SCHEMBL6328574

CCOC(=O)C1(C)CNC(Cc2cc(F)cc(F)c2)=N1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
POLB P06746 3/20 0.35
BRD4 O60885 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX5 P09917 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
METAP2 P50579 2/20 0.30

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
SCHEMBL6328565 0.69 NTRK1 (0.32) NTRK1POLBHTTMEN1KMT2A
SCHEMBL23927445 0.67 NTRK1 (0.43) NTRK1HTTMEN1KMT2ALMNA
SCHEMBL6328828 0.62 DGAT1 (0.32) NTRK1MEN1KMT2A
SCHEMBL5988335 0.62 POLB (0.40) POLBBRD4MEN1KMT2AMAPT
SCHEMBL23927479 0.62 TSHR (0.39) NTRK1HTTMEN1KMT2ALMNA
SCHEMBL30091457 0.62 TSHR (0.39) NTRK1HTTMEN1KMT2ALMNA
SCHEMBL25854727 0.62 MEN1 (0.41) POLBHTTMEN1KMT2ALMNA
SCHEMBL2381215 0.61 MAOB (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL24801656 0.61 OPRM1 (0.34) BRD4MEN1KMT2ALMNAMAPT
SCHEMBL23927435 0.60 PDE3B (0.39) NTRK1HTTMEN1KMT2ALMNA

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 5 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
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 NTRK1 4770/4885POLB 3875/4885BRD4 3238/4885

“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.