SCHEMBL2991579

SCHEMBL2991579

Cc1ccccc1-c1nnc(C(C)(C)NC(=O)O)n1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.38
PTGES O14684 1/20 0.37
SSTR4 P31391 1/20 0.37
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
STAT6 P42226 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2991428 0.82 HSD11B1 (0.39) HSD11B1ALDH1A1PKMNPC1TSHR
SCHEMBL2987238 0.79 HSD11B1 (0.40) HSD11B1ALDH1A1MEN1GAAMAPT
SCHEMBL22792062 0.79 HSD11B1 (0.46) HSD11B1ALDH1A1PKMNPC1RAB9A
SCHEMBL2995278 0.78 HSD11B1 (0.52) HSD11B1HPGDNPC1RAB9AL3MBTL1
SCHEMBL2994931 0.76 MEN1 (0.34) HSD11B1PTGESALDH1A1PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL2987303 0.75 ALDH1A1 (0.44) HSD11B1ALDH1A1PKMHPGDNPC1
SCHEMBL2995389 0.74 SMO (0.35) HSD11B1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL2991668 0.72 HSD11B1 (0.38) HSD11B1ALDH1A1PKMNPC1RAB9A
SCHEMBL2995518 0.70 HSD11B1 (0.37) HSD11B1PTGESALDH1A1PKMHPGD
SCHEMBL15206947 0.69 HSD11B1 (0.69) HSD11B1ALDH1A1PKMHPGDNPC1

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 3 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
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 1/4885PTGES 2746/4885SSTR4 1595/4885

“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.