SCHEMBL3455572

SCHEMBL3455572

O=C(CCC1CCCC1)N1CCC(c2nc(C(=O)N3CCCC4CCCCC43)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
FAAH O00519 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 1/20 0.37

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
SCHEMBL1045110 0.87 HSD11B1 (0.49) HSD11B1MEN1KMT2AMAPTTRPC3
SCHEMBL1042702 0.87 HSD11B1 (0.47) HSD11B1TRPC3TRPC6
SCHEMBL6526928 0.86 HSD11B1 (0.45) HSD11B1FAAHTRPC3TRPC6
SCHEMBL1041740 0.85 POLB (0.38) HSD11B1SMN1; SMN2TRPC3TRPC6
SCHEMBL3455431 0.84 HSD11B1 (0.41) HSD11B1SMN1; SMN2TRPC3TRPC6
SCHEMBL6526996 0.84 HSD11B1 (0.45) HSD11B1MEN1KMT2AKDM4ETRPC3
SCHEMBL6526735 0.83 POLB (0.44) HSD11B1SMN1; SMN2TRPC3TRPC6
SCHEMBL1043653 0.83 PIM1 (0.39) HSD11B1SMN1; SMN2TRPC3TRPC6
SCHEMBL15121832 0.83 HSD11B1 (0.40) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15121681 0.83 HSD11B1 (0.40) HSD11B1ALDH1A1SMN1; SMN2MAPK1TRPC3

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 8 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
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO claimed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 WO 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 1/4885ALDH1A1 366/4885MEN1 1539/4885

“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.