SCHEMBL1414331

SCHEMBL1414331

CC(C)(C)OC[C@@H](CN1CCOCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.43
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 2/20 0.40
CTSD P07339 1/20 0.39
CTSS P25774 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ANPEP P15144 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL1414330 1.00 CTSK (0.43) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL17828217 0.84 CTSK (0.43) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL8563453 0.84 CTSK (0.54) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL30536641 0.83 CTSK (0.47) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL8234411 0.81 CTSK (0.44) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL1414550 0.81 MEN1 (0.37) CTSKCTSLCTSBSMN1; SMN2CTSS
SCHEMBL1414548 0.81 MEN1 (0.37) CTSKCTSLCTSBSMN1; SMN2CTSS
SCHEMBL1414546 0.81 MEN1 (0.37) CTSKCTSLCTSBSMN1; SMN2CTSS
SCHEMBL12260408 0.81 CTSK (0.49) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL357027 0.81 CTSK (0.49) CTSKCTSLCTSBSMN1; SMN2USP2

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 CTSK 1040/4885CTSL 701/4885CTSB 385/4885

“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.