SCHEMBL2991823

SCHEMBL2991823

Cn1c(-c2ccccc2Br)nnc1C(C)(C)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.49
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2990029 0.84 HSD11B1 (0.56) HSD11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2983603 0.81 HSD11B1 (0.52) HSD11B1MAPTTHRBKDM4E
SCHEMBL2992855 0.79 HTR7 (0.37) HSD11B1MAPTKDM4ECHRM2CHRM4
SCHEMBL13902316 0.70 ALDH1A1 (0.36) MAPTKDM4ECHRM3ALDH1A1L3MBTL1
SCHEMBL12671059 0.69 HSD11B1 (0.53) HSD11B1MAPTTHRBALDH1A1L3MBTL1
SCHEMBL2748325 0.69 HSD11B1 (0.70) HSD11B1MAPTTHRBKDM4EALDH1A1
SCHEMBL13902318 0.68 ALDH1A1 (0.37) CHRM3ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6244967 0.68 KMT2A (0.63) HSD11B1MAPTTHRBKDM4EALDH1A1
SCHEMBL2995306 0.68 HSD11B1 (0.55) HSD11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24820549 0.67 HSD11B1 (0.63) HSD11B1MAPTTHRBKDM4EALDH1A1

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 6 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 claimed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US claimed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP claimed
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
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 HSD11B1 1/4885MAPT 3403/4885THRB 626/4885

“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.