SCHEMBL6526733

SCHEMBL6526733

CC(=O)N1CCC(c2nc(C(=O)N3CCCC4CCCC=C43)cs2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.37
SPR P35270 3/20 0.35
TRPC3 Q13507 5/20 0.34
TRPC6 Q9Y210 5/20 0.34
PDE4B Q07343 3/20 0.34
PDE7A Q13946 3/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PPARG P37231 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
QDPR P09417 1/20 0.32
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 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
SCHEMBL3455430 0.91 TRPC3 (0.34) SPRTRPC3TRPC6PIM1PIM3
SCHEMBL15121790 0.89 PPARG (0.34) BAZ2ASPRTRPC3TRPC6PDE4B
SCHEMBL15121672 0.89 PDE4B (0.35) SPRTRPC3TRPC6PDE4BPDE7A
SCHEMBL15121682 0.89 TSHR (0.36) SPRTRPC3TRPC6PIM1PIM3
SCHEMBL15121656 0.88 TSHR (0.35) SPRTRPC3TRPC6PIM1PIM3
SCHEMBL15121833 0.88 PIM1 (0.36) SPRTRPC3TRPC6PIM1PIM3
SCHEMBL6526994 0.87 PDE4B (0.39) SPRPDE4BPDE7APIM1PIM3
SCHEMBL15122041 0.87 PIM1 (0.38) SPRTRPC3TRPC6PIM1PIM3
SCHEMBL6533567 0.86 FAAH (0.36) BAZ2ASPRTRPC3TRPC6PIM1
SCHEMBL6521630 0.86 PPARG (0.35) BAZ2ASPRTRPC3TRPC6PDE4B

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 BAZ2A 4597/4885SPR 897/4885TRPC3 4307/4885

“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.