SCHEMBL1414217

SCHEMBL1414217

CC[CH]CCCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.47
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TEAD3 Q99594 1/20 0.39
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
NAAA Q02083 2/20 0.38
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4079459 0.87 TSHR (0.52) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL29113319 0.87 L3MBTL1 (0.50) L3MBTL1TDP1TSHR
SCHEMBL27673076 0.83 L3MBTL1 (0.47) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL11896244 0.83 L3MBTL1 (0.50) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL11896246 0.83 L3MBTL1 (0.50) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL27745868 0.82 L3MBTL1 (0.51) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL2640223 0.81 TSHR (0.70) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL10961339 0.80 L3MBTL1 (0.53) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL20561263 0.80 L3MBTL1 (0.53) L3MBTL1TDP1TSHRHRH4HRH3
Water SCHEMBL9243319 0.80 L3MBTL1 (0.57) L3MBTL1TDP1TSHRHRH4HRH3

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 3 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
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

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 L3MBTL1 4466/4885TDP1 604/4885TSHR 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.