SCHEMBL2747981

SCHEMBL2747981

Cc1ccccc1-c1nnc(-c2cccc(Cl)c2Cl)n1C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.66
P2RX7 Q99572 6/20 0.51
PDE2A O00408 1/20 0.48
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL2748126 0.91 HSD11B1 (0.71) HSD11B1P2RX7PDE2APDE10A
SCHEMBL2748146 0.90 HSD11B1 (0.82) HSD11B1P2RX7PDE2APDE10A
SCHEMBL2747997 0.81 HSD11B1 (0.58) HSD11B1P2RX7PDE2APDE10A
SCHEMBL2747473 0.80 HSD11B1 (1.00) HSD11B1
SCHEMBL8819360 0.78 P2RX7 (0.46) HSD11B1P2RX7PDE2APDE10A
SCHEMBL2747248 0.78 HSD11B1 (0.78) HSD11B1PDE2APDE10A
SCHEMBL15206947 0.75 HSD11B1 (0.69) HSD11B1
SCHEMBL21303108 0.74 HSD11B1 (0.52) HSD11B1
SCHEMBL2748888 0.74 HSD11B1 (0.81) HSD11B1
SCHEMBL2748325 0.74 HSD11B1 (0.70) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178546-B2 Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2012-05-15 US claimed
US-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-10-07 US claimed
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-10-16 US claimed
EP-1732904-A4 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-11-14 EP claimed
EP-1732904-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2006-12-20 EP claimed
WO-2005097759-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2005-10-20 WO claimed
US-8178546-B2 Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-10-07 US disclosed
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-10-16 US 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 (2 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-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885P2RX7 4271/4885PDE2A 933/4885
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885P2RX7 4347/4885PDE2A 1166/4885

“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.