SCHEMBL6698887

SCHEMBL6698887

COc1ccc(NCC(C)(C)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.59
MAPT P10636 7/20 0.59
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
APP P05067 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A1 P22736 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL12932884 0.84 GAA (0.63) GAAMAPTNPC1RAB9AL3MBTL1
SCHEMBL15114279 0.81 GAA (0.64) GAAMAPTNPC1RAB9AL3MBTL1
SCHEMBL5294889 0.78 GAA (0.67) GAAMAPTNPC1RAB9AL3MBTL1
SCHEMBL6698866 0.78 MAPT (0.54) GAAMAPTNPC1RAB9AL3MBTL1
SCHEMBL6701038 0.76 KIT (0.38) MAPTNPC1RAB9AL3MBTL1MAPK1
SCHEMBL10852321 0.76 SLC6A2 (0.50) NPC1RAB9ATDP1RECQLNPSR1
SCHEMBL14397073 0.76 CA1 (0.46) GAAMAPTNPC1RAB9AMAPK1
SCHEMBL18235922 0.76 GAA (0.62) GAAMAPTNPC1RAB9AL3MBTL1
SCHEMBL6702352 0.75 TAAR1 (0.46) MAPTL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL24289061 0.75 GAA (0.52) GAAMAPTNPC1RAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 GAA 51/4885MAPT 3376/4885NPC1 700/4885

“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.