SCHEMBL2994923

SCHEMBL2994923

COCOC1CC(C(=O)NN)(c2cccs2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TP53 P04637 3/20 0.38
LMNA P02545 3/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL4094258 0.88 MAPT (0.38) MAPTTP53LMNASLC6A2SLC6A4
SCHEMBL30999151 0.79 ALDH1A1 (0.42) MAPTTP53LMNASLC6A2SLC6A4
SCHEMBL13902235 0.79 SLC6A2 (0.40) SLC6A2SLC6A4
SCHEMBL5637245 0.76 ALDH1A1 (0.42) MAPTLMNAALDH1A1HTTGAA
SCHEMBL2991394 0.72 ALDH1A1 (0.43) MAPTTP53LMNAALDH1A1HTT
SCHEMBL2989344 0.72 ALDH1A1 (0.51) MAPTTP53LMNASLC6A2ALDH1A1
SCHEMBL4092897 0.72 SLC6A4 (0.34) SLC6A2SLC6A4
SCHEMBL2997199 0.69 ALDH1A1 (0.69) MAPTTP53LMNAALDH1A1HTT
SCHEMBL4092886 0.68 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL30999194 0.67 CHRM3 (0.46) MAPTTP53LMNASLC6A2SLC6A4

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
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 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 (2 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 MAPT 3403/4885TP53 4289/4885LMNA 4230/4885
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 MAPT 3869/4885TP53 4620/4885LMNA 4107/4885

“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.