SCHEMBL6530644

SCHEMBL6530644

O=C(C1CCC1)N1CCC(c2nc(C(=O)N3CCCC4CCCC[C@@H]43)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPC3 Q13507 3/20 0.37
TRPC6 Q9Y210 3/20 0.37
SPR P35270 1/20 0.37
TSHR P16473 2/20 0.37
GRM5 P41594 3/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD5 Q86SK9 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
PPARG P37231 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL6530645 1.00 HSD11B1 (0.40) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL15121832 0.99 HSD11B1 (0.40) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL15122040 0.98 HSD11B1 (0.40) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL15121681 0.97 HSD11B1 (0.40) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL3455431 0.88 HSD11B1 (0.41) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL6526735 0.87 POLB (0.44) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL1043023 0.84 HSD11B1 (0.41) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL1042702 0.84 HSD11B1 (0.47) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL1042838 0.83 HSD11B1 (0.42) HSD11B1PIM1PIM3PIM2POLB
SCHEMBL1044246 0.83 HSD11B1 (0.41) HSD11B1PIM1PIM3PIM2POLB

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 1/4885PIM1 3286/4885PIM3 4469/4885

“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.