SCHEMBL2991668

SCHEMBL2991668

Cc1ccccc1-c1nnc(C(C)(C)N(C)c2ccccc2)n1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.38
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL2994931 0.81 MEN1 (0.34) HSD11B1ALDH1A1PKMKDM4EMEN1
SCHEMBL2995389 0.79 SMO (0.35) HSD11B1KDM4EMEN1MAPTRECQL
SCHEMBL22792062 0.79 HSD11B1 (0.46) HSD11B1ALDH1A1PKMNPC1CASP3
SCHEMBL2995518 0.78 HSD11B1 (0.37) HSD11B1ALDH1A1PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL2987303 0.75 ALDH1A1 (0.44) HSD11B1ALDH1A1PKMKDM4EMEN1
SCHEMBL2991428 0.73 HSD11B1 (0.39) HSD11B1ALDH1A1PKMMAPTKMT2A
SCHEMBL2991579 0.72 HSD11B1 (0.38) HSD11B1ALDH1A1PKMKDM4EMEN1
SCHEMBL15206947 0.69 HSD11B1 (0.69) HSD11B1ALDH1A1PKMKDM4EMEN1
SCHEMBL2987238 0.69 HSD11B1 (0.40) HSD11B1ALDH1A1MEN1MAPTKMT2A
SCHEMBL21303108 0.68 HSD11B1 (0.52) HSD11B1ALDH1A1PKMKMT2ANPC1

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 claimed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US 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 1/4885ALDH1A1 288/4885PKM 1808/4885

“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.