SCHEMBL7993090

SCHEMBL7993090

Cn1c(-c2ccc(F)cc2Cl)nnc1C(C)(C)Oc1ccc(C#N)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.45
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
PDE7A Q13946 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL12671047 0.96 HSD11B1 (0.42) HSD11B1PDE2APDE10APDE6DPDE6A
SCHEMBL12671314 0.91 HSD11B1 (0.47) HSD11B1PDE2APDE10APDE6DPDE6A
SCHEMBL12671159 0.91 HSD11B1 (0.33) HSD11B1AR
SCHEMBL12671313 0.88 HSD11B1 (0.44) HSD11B1NR3C1PGRNR3C2AR
SCHEMBL12671146 0.88 HSD11B1 (0.40) HSD11B1NR3C1PGRNR3C2
SCHEMBL12671323 0.86 HSD11B1 (0.41) HSD11B1NR3C1PGRNR3C2AR
SCHEMBL12671291 0.83 HSD11B1 (0.56) HSD11B1PDE2APDE10APDE6DPDE6A
SCHEMBL7980060 0.83 HSD11B1 (0.45) HSD11B1
SCHEMBL12671046 0.83 HSD11B1 (0.40) HSD11B1AR
SCHEMBL12671340 0.83 HSD11B1 (0.44) HSD11B1PDE2AAR

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.