SCHEMBL1414080

SCHEMBL1414080

CC(C)(C)OCC(N)c1nnnn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.53
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
HRH3 Q9Y5N1 2/20 0.46
MAPK1 P28482 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
LMNA P02545 4/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC1A3 P43003 3/20 0.45
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SLC1A2 P43004 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL1414083 1.00 GHSR (0.53) GHSRALDH1A1TSHRHRH3MAPK1
SCHEMBL1414290 0.76 GHSR (0.57) GHSRLMNAPOLB
SCHEMBL7314092 0.75 PAX8 (0.48) GHSRALDH1A1TSHRHRH3MAPK1
SCHEMBL7314086 0.75 PAX8 (0.48) GHSRALDH1A1TSHRHRH3MAPK1
SCHEMBL4408776 0.74 ALDH1A1 (0.60) ALDH1A1TSHRHRH3MAPK1HRH4
SCHEMBL10969069 0.73 ALDH1A1 (0.59) ALDH1A1TSHRHRH3MAPK1HRH4
SCHEMBL20525969 0.70 GHSR (1.00) GHSR
SCHEMBL20525967 0.70 GHSR (1.00) GHSR
SCHEMBL1414133 0.69 ALDH1A1 (0.48) GHSRALDH1A1TSHRHRH3MAPK1
SCHEMBL18387989 0.69 ALDH1A1 (0.57) ALDH1A1TSHRHRH3MAPK1HRH4

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 GHSR 4644/4885ALDH1A1 3796/4885TSHR 4866/4885

“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.