SCHEMBL7985259

SCHEMBL7985259

CCn1c(-c2ccc(N)cc2Cl)nnc1C(C)(C)Oc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
PDE2A O00408 4/20 0.35
PDE10A Q9Y233 3/20 0.35
HSD11B2 P80365 1/20 0.33
PDE6D O43924 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 1/20 0.31

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
SCHEMBL7989327 0.89 MAOB (0.32)
SCHEMBL7989134 0.87 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL7988390 0.87 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL7978754 0.87 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL7971539 0.85 ACSS2 (0.42) HSD11B1
SCHEMBL12671343 0.85 AR (0.37) HSD11B1PDE2APDE10A
SCHEMBL7989328 0.83 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL7979824 0.82 KDM4E (0.38) HSD11B1
SCHEMBL7982916 0.82 HSD11B2 (0.36) HSD11B1PDE2APDE10AHSD11B2PDE6D
SCHEMBL7987890 0.78 HSD11B1 (0.56) HSD11B1PDE2APDE10APDE6DPDE6A

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885PDE2A 1318/4885PDE10A 1524/4885

“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.