SCHEMBL1414404

SCHEMBL1414404

CC(C)(C)OC(=O)NC(CCC(=O)N(CC(=O)OCc1ccccc1)C1CCCCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CACNA1B Q00975 4/20 0.41
CCKBR P32239 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
SYK P43405 1/20 0.39
PPARA Q07869 1/20 0.39
KMT2A Q03164 2/20 0.39
REN P00797 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 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
SCHEMBL1414405 1.00 CTSL (0.43) CTSLF2PLGPLATPRSS1
SCHEMBL1414200 0.81 L3MBTL1 (0.46) F2PLGPLATPRSS1L3MBTL1
SCHEMBL1414202 0.81 L3MBTL1 (0.46) F2PLGPLATPRSS1L3MBTL1
SCHEMBL1414618 0.78 L3MBTL1 (0.41) CTSLF2PLGPLATPRSS1
SCHEMBL1414620 0.78 L3MBTL1 (0.41) CTSLF2PLGPLATPRSS1
SCHEMBL8893633 0.78 L3MBTL1 (0.45) CTSLL3MBTL1CCKBR
SCHEMBL1414152 0.77 HDAC4 (0.39) ITGB3ITGA2B
SCHEMBL6687688 0.77 L3MBTL1 (0.43) L3MBTL1KMT2A
SCHEMBL3363949 0.76 DPP4 (0.45) CTSL
SCHEMBL30921316 0.76 SYK (0.58) CTSLKLK7KLK5CACNA1BITGB3

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
EP-1966198-B1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-03-16 EP disclosed
US-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 US disclosed
EP-1966198-A1 2-AMINO-3,4-DIHYDRO-PYRIDOÝ3,4-D¨PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-10 EP disclosed
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BAXTER ELLEN E 2007-11-08 US disclosed
WO-2007050612-A1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, PSEN2, BACE1 CTSL 701/4885F2 3635/4885PLG 2206/4885

“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.