SCHEMBL2994931

SCHEMBL2994931

CC(=O)N(c1ccccc1)C(C)(C)c1nnc(-c2ccccc2C)n1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
HSD11B1 P28845 5/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
PTGES O14684 1/20 0.32

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
SCHEMBL2995389 0.88 SMO (0.35) MEN1MAPTKMT2AKDM4ERECQL
SCHEMBL2991668 0.81 HSD11B1 (0.38) MEN1MAPTKMT2AKDM4ERECQL
SCHEMBL2991579 0.76 HSD11B1 (0.38) MEN1MAPTKMT2AKDM4EHSD11B1
SCHEMBL22792062 0.74 HSD11B1 (0.46) HSD11B1ALDH1A1SMN1; SMN2PKM
SCHEMBL2995518 0.73 HSD11B1 (0.37) MEN1KMT2AHSD11B1ALDH1A1PKM
Hydrochloric Acid SCHEMBL2987303 0.70 ALDH1A1 (0.44) MEN1MAPTKMT2AKDM4EHSD11B1
SCHEMBL2991428 0.69 HSD11B1 (0.39) MAPTKMT2AHSD11B1ALDH1A1PKM
SCHEMBL2993813 0.68 HSD11B1 (0.52) MAPTKDM4EHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL2987238 0.67 HSD11B1 (0.40) MEN1MAPTKMT2AHSD11B1ALDH1A1
SCHEMBL6626142 0.65 KMT2A (0.46) MEN1MAPTKMT2AALDH1A1SMN1; SMN2

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 MEN1 1768/4885MAPT 3403/4885KMT2A 1495/4885

“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.