SCHEMBL6527795

SCHEMBL6527795

O=C(COc1ccccc1)N1CCC(c2nc(C(=O)N3CCCCC3)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 8/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ACHE P22303 1/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CPT2 P23786 5/20 0.48
CPT1B Q92523 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1043735 0.89 MEN1 (0.54) CPT1AL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL6523509 0.85 CPT1A (0.50) CPT1AALDH1A1LMNACPT2CPT1B
SCHEMBL1045532 0.84 CPT1A (0.47) CPT1AL3MBTL1ACHEALDH1A1LMNA
SCHEMBL6521137 0.84 MAPT (0.45) CPT1AL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL1044681 0.83 ALDH1A1 (0.49) CPT1AL3MBTL1ACHEALDH1A1LMNA
SCHEMBL1044683 0.83 CPT1A (0.46) CPT1AL3MBTL1ACHEALDH1A1LMNA
SCHEMBL28020746 0.81 CPT1A (0.44) CPT1AL3MBTL1ACHEALDH1A1LMNA
SCHEMBL1045160 0.80 HTR2C (0.44) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1044671 0.78 KMT2A (0.61) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1045167 0.77 KDM4E (0.47) L3MBTL1ALDH1A1LMNAMEN1KMT2A

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 CPT1A 161/4885L3MBTL1 3142/4885ACHE 656/4885

“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.