SCHEMBL2986182

SCHEMBL2986182

Cn1c(-c2ccc(C(=O)O)cc2)nnc1C(C)(C)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
DGAT1 O75907 4/20 0.41
HDAC6 Q9UBN7 1/20 0.40
PIN1 Q13526 2/20 0.40
HSD11B1 P28845 1/20 0.40
TOP2A P11388 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
PHGDH O43175 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2981625 0.90 HSD11B1 (0.40) TP53DGAT1HDAC6HSD11B1MAPT
SCHEMBL2982974 0.89 SMN1; SMN2 (0.50) TP53DGAT1MAPTSMN1; SMN2LMNA
SCHEMBL2987136 0.86 MEN1 (0.46) TP53HSD11B1MAPTSMN1; SMN2LMNA
SCHEMBL2997693 0.83 GAA (0.46) TP53DGAT1MAPTLMNAALDH1A1
SCHEMBL22530202 0.81 HSD11B1 (0.49) PIN1HSD11B1SMN1; SMN2CDC25ACDC25B
SCHEMBL2984482 0.79 KMT2A (0.43) TP53DGAT1MAPTSMN1; SMN2LMNA
SCHEMBL11525112 0.78 NPC1 (0.54) HDAC6HSD11B1MAPTLMNACDC25A
SCHEMBL2991428 0.75 HSD11B1 (0.39) TP53HSD11B1MAPTRAB9AALDH1A1
SCHEMBL2990968 0.73 HSD11B1 (0.58) HSD11B1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL2987116 0.70 HSD11B1 (0.44) HSD11B1

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 TP53 4289/4885DGAT1 295/4885HDAC6 540/4885

“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.