SCHEMBL2994768

SCHEMBL2994768

Cn1c(-c2ccccc2Cl)nnc1C(C)(C)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.55
MAOA P21397 1/20 0.44
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2990458 0.82 HSD11B1 (0.52) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2995278 0.82 HSD11B1 (0.52) HSD11B1MAOANPC1RAB9AHPGD
SCHEMBL2994411 0.81 HSD11B1 (0.50) HSD11B1MAOAALDH1A1NPC1LMNA
SCHEMBL7980912 0.79 HSD11B1 (0.67) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL18905854 0.79 HSD11B1 (0.71) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2993813 0.78 HSD11B1 (0.52) HSD11B1MAOAALDH1A1NPC1LMNA
SCHEMBL2983487 0.76 HSD11B1 (0.67) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2983476 0.76 HSD11B1 (0.61) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL1417729 0.75 HSD11B1 (0.59) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2986150 0.74 HSD11B1 (0.55) HSD11B1ALDH1A1NPC1LMNARAB9A

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 1/4885MAOA 3825/4885ALDH1A1 288/4885

“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.