SCHEMBL2989461

SCHEMBL2989461

Cn1c(-c2ccccc2Cl)nnc1C(C)(C)n1ccc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.52
PDE2A O00408 4/20 0.43
PDE10A Q9Y233 3/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4D Q08499 1/20 0.37
PDE11A Q9HCR9 1/20 0.37

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
SCHEMBL18905854 0.77 HSD11B1 (0.71) HSD11B1ALDH1A1KDM4EHPGDNPC1
SCHEMBL5263238 0.76 HSD11B1 (0.56) HSD11B1ALDH1A1KDM4EHPGDNPC1
SCHEMBL2983487 0.74 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4EHPGDNPC1
SCHEMBL7980912 0.74 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4EHPGDNPC1
SCHEMBL2994351 0.74 HSD11B1 (0.58) HSD11B1ALDH1A1KDM4EHPGDNPC1
SCHEMBL2747473 0.72 HSD11B1 (1.00) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2983476 0.71 HSD11B1 (0.61) HSD11B1ALDH1A1KDM4EHPGDNPC1
SCHEMBL1417729 0.70 HSD11B1 (0.59) HSD11B1ALDH1A1KDM4EHPGDNPC1
SCHEMBL1417458 0.70 HSD11B1 (0.59) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2995306 0.70 HSD11B1 (0.55) HSD11B1PDE2APDE10AALDH1A1KDM4E

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
CN-101014578-B Triazole derivative or salt thereof ASTELLAS PHARMA INC 2011-01-19 CN disclosed
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
CN-101014578-A Triazole derivative or salt thereof ASTELLAS PHARMA INC (JP) 2007-08-08 CN 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 1/4885PDE2A 934/4885PDE10A 1409/4885

“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.