SCHEMBL13209092

SCHEMBL13209092

CN(CCO)C1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
XBP1 P17861 1/20 0.58
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.41
IDO1 P14902 1/20 0.41
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41

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
Hydrochloric Acid SCHEMBL7328177 0.86 HTT (0.53) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL12124857 0.84 HTT (0.57) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL12124861 0.84 HTT (0.57) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL12124859 0.84 HTT (0.57) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL13209098 0.84 ALDH1A1 (0.51) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL14528375 0.84 ALDH1A1 (0.51) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL7780034 0.81 ALDH1A1 (0.49) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL16656376 0.81 HTT (0.61) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL30674371 0.81 HTT (0.61) ALDH1A1HTTXBP1MAOAMAOB
SCHEMBL13209087 0.81 HTT (0.61) ALDH1A1HTTXBP1MAOAMAOB

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-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-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US 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 (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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 ALDH1A1 288/4885HTT 2559/4885XBP1 2105/4885

“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.