SCHEMBL6526735

SCHEMBL6526735

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD11B1 P28845 4/20 0.43
TRPC3 Q13507 4/20 0.41
TRPC6 Q9Y210 4/20 0.41
BAZ2A Q9UIF9 1/20 0.39
SPR P35270 1/20 0.38
TRPA1 O75762 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SCD5 Q86SK9 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL3455431 0.90 HSD11B1 (0.41) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL1043023 0.88 HSD11B1 (0.41) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL1042702 0.88 HSD11B1 (0.47) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL15121832 0.88 HSD11B1 (0.40) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL15121681 0.88 HSD11B1 (0.40) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL1042838 0.87 HSD11B1 (0.42) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL6530645 0.87 HSD11B1 (0.40) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL6530644 0.87 HSD11B1 (0.40) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL15122040 0.87 HSD11B1 (0.40) POLBTDP1HSD11B1TRPC3TRPC6
SCHEMBL1044863 0.86 HSD11B1 (0.44) POLBTDP1HSD11B1TRPC3TRPC6

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 POLB 1543/4885TDP1 469/4885HSD11B1 1/4885

“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.