SCHEMBL6521137

SCHEMBL6521137

O=C(COc1ccccc1)N1CCC(c2nc(C(=O)N3CCCC4CCCC=C43)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.43
CPT1A P50416 9/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CPT2 P23786 6/20 0.41
CPT1B Q92523 5/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL15121790 0.85 PPARG (0.34) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL3455430 0.84 TRPC3 (0.34)
SCHEMBL6527795 0.84 CPT1A (0.50) MAPTKDM4ECPT1AKMT2AMEN1
SCHEMBL6526994 0.83 PDE4B (0.39) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL1043735 0.82 MEN1 (0.54) MAPTKDM4ECPT1AKMT2AMEN1
SCHEMBL6526927 0.82 SPR (0.33) KMT2ALMNAALDH1A1GAASMN1; SMN2
SCHEMBL6526733 0.81 BAZ2A (0.37) KMT2A
SCHEMBL15121628 0.81 L3MBTL1 (0.35) MAPTKMT2AMEN1L3MBTL1RAB9A
SCHEMBL3455570 0.81 ALDH1A1 (0.37) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL15121689 0.81 KDM4E (0.41) MAPTKDM4EKMT2AMEN1LMNA

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 MAPT 1685/4885KDM4E 4062/4885CPT1A 161/4885

“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.