SCHEMBL13209042

SCHEMBL13209042

CCOC(=O)C1CCCn2c(C)nnc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TLR4 O00206 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1074113 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1544735 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL31086452 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATLR4
SCHEMBL31086410 0.73 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2KMT2AKDM4EMAPT
SCHEMBL16609900 0.70 MEN1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ATLR4
SCHEMBL23228558 0.69 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ATLR4
SCHEMBL20988214 0.69 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ATLR4
SCHEMBL20980058 0.69 TLR4 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATLR4
SCHEMBL15427994 0.69 MEN1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ATLR4
SCHEMBL4077853 0.68 TLR4 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ATLR4

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-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 288/4885SMN1; SMN2 3427/4885MEN1 1768/4885

“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.