SCHEMBL6521632

SCHEMBL6521632

CCC(CC)C(=O)N1CCC(c2nc(C(=O)N3CCCC4CCCCC43)cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.41
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPC3 Q13507 4/20 0.37
TRPC6 Q9Y210 4/20 0.37
SPR P35270 1/20 0.37
TRPA1 O75762 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
LMNA P02545 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
SCHEMBL1043023 0.89 HSD11B1 (0.41) HSD11B1PPARGPOLBTDP1TRPC3
SCHEMBL1043028 0.87 KDM4E (0.43) HSD11B1PPARGTRPC3TRPC6LMNA
SCHEMBL1042702 0.87 HSD11B1 (0.47) HSD11B1PPARGPOLBTDP1TRPC3
SCHEMBL6526735 0.86 POLB (0.44) HSD11B1PPARGPOLBTDP1TRPC3
SCHEMBL1045369 0.85 PPARG (0.42) HSD11B1PPARGPOLBTDP1TRPC3
SCHEMBL3455431 0.84 HSD11B1 (0.41) HSD11B1PPARGPOLBTDP1TRPC3
SCHEMBL1043938 0.84 HSD11B1 (0.43) HSD11B1PPARGPOLBTDP1TRPC3
SCHEMBL6526996 0.84 HSD11B1 (0.45) HSD11B1PPARGPOLBTDP1TRPC3
SCHEMBL1042838 0.84 HSD11B1 (0.42) HSD11B1PPARGPOLBTDP1TRPC3
SCHEMBL1044751 0.84 HSD11B1 (0.44) HSD11B1PPARGPOLBTDP1TRPC3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US claimed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP claimed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 US claimed
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP disclosed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 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 (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-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885PPARG 744/4885POLB 1543/4885

“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.