SCHEMBL407689

SCHEMBL407689

COC(=O)[C@H]1CC[C@H](c2nc(-c3ccccc3)c[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ADORA1 P30542 5/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TNK2 Q07912 2/20 0.39
VCP P55072 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
BTK Q06187 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDGFRB P09619 1/20 0.37

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
SCHEMBL440195 1.00 TDP1 (0.43) TDP1ADORA1ADORA3ADORA2AALDH1A1
SCHEMBL408754 0.85 NPC1 (0.55) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL442390 0.85 NPC1 (0.55) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL5202992 0.84 KCNH2 (0.46) VCP
SCHEMBL5203000 0.84 KCNH2 (0.46) VCP
Hydrochloric Acid SCHEMBL9408035 0.84 PARP1 (0.39) ADORA1NPC1RAB9A
SCHEMBL12166160 0.80 CHEK2 (0.40) SLC6A2SLC6A4PDGFRB
SCHEMBL21094836 0.77 GABRA1 (0.42) ADORA1ADORA3ADORA2AALDH1A1
SCHEMBL12166154 0.77 ALDH1A1 (0.40) TDP1ALDH1A1MAPTHPGDNPSR1
SCHEMBL13623293 0.77 ALDH1A1 (0.40) TDP1ALDH1A1MAPTHPGDNPSR1

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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT TDP1 3859/4885ADORA1 2070/4885ADORA3 2266/4885

“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.