SCHEMBL13209010

SCHEMBL13209010

CC1(c2ccc(Cl)s2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
LMNA P02545 1/20 0.33
KIF11 P52732 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
WRN Q14191 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24685430 0.81 OPRD1 (0.39) HCAR3HCAR2LMNAKIF11ALDH1A1
SCHEMBL22195209 0.77 HCAR3 (0.36) HCAR3HCAR2LMNAALDH1A1HPGD
SCHEMBL13209007 0.75 HPGD (0.34) SLC6A2SLC6A4ALDH1A1HPGDWRN
SCHEMBL21610764 0.72 HCAR3 (0.36) HCAR3HCAR2LMNAALDH1A1HPGD
SCHEMBL9734894 0.69 AKR1B1 (0.35) HCAR3HCAR2LMNAKIF11SLC6A2
SCHEMBL17028541 0.65 SLC6A2 (0.35) SLC6A2SLC6A4ALDH1A1HPGDHTT
SCHEMBL25381715 0.64 DAO (0.44) HCAR3HCAR2LMNAKIF11SLC6A2
SCHEMBL25430938 0.63 HCAR3 (0.38) HCAR3HCAR2LMNAKIF11SLC6A2
SCHEMBL2273108 0.63 DRD2 (0.50) HCAR3HCAR2SLC6A2SLC6A4TSHR
SCHEMBL14625009 0.62 SLC6A4 (0.55) SLC6A2SLC6A4

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 HCAR3 1104/4885HCAR2 1827/4885LMNA 4230/4885

“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.