SCHEMBL293002

SCHEMBL293002

CCCN(CC)S([NH])(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA12 O43570 5/20 0.50
CA2 P00918 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA9 Q16790 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA7 P43166 1/20 0.33
RAB9A P51151 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
UGT1A7 Q9HAW7 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL42341 0.89 CA1 (0.60) CA1CA12CA2CA14CA9
SCHEMBL293492 0.85 CA1 (0.39) CA1CA12CA2CA14CA9
SCHEMBL43034 0.83
SCHEMBL392283 0.81 DNM1 (0.41) CA1CA12CA2CA9
SCHEMBL293341 0.80 CA1 (0.50) CA1CA12CA2CA14CA9
SCHEMBL28163257 0.78 CA1 (0.60) CA1CA12CA2CA14CA9
SCHEMBL5252423 0.76 CA1 (0.57) CA1CA12CA2CA14CA9
SCHEMBL13693145 0.76 CA1 (0.57) CA1CA12CA2CA14CA9
SCHEMBL5252426 0.74 CA1 (0.55) CA1CA12CA2CA14CA9
SCHEMBL293003 0.74 CA1 (0.80) CA1CA12CA2CA14CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 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-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 CA1 4685/4885CA12 4320/4885CA2 2321/4885

“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.