SCHEMBL3004306

SCHEMBL3004306

CC(C)(Oc1ccc(-c2cc(Cl)c(C(C3CCCCC3)C3CCNC3=O)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
FABP1 P07148 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PDE5A O76074 1/20 0.37
MAP4K4 O95819 1/20 0.37
KCNH2 Q12809 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 2/20 0.36
BLM P54132 1/20 0.36
PPARG P37231 6/20 0.35
FABP2 P12104 1/20 0.35

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
SCHEMBL2993665 0.89 PPARA (0.43) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3548272 0.83 KMT2A (0.37) PPARAMEN1KMT2AFABP1NR1H4
SCHEMBL209307 0.82 PDE4D (0.41) CYP3A4CYP2D6NR1H4PDE5ACYP2C9
SCHEMBL2999221 0.82 MMP2 (0.41) MAPTCYP2C9ALDH1A1
SCHEMBL3554796 0.81 FFAR4 (0.41) MEN1KMT2ACYP2C9ALDH1A1
SCHEMBL208481 0.81 SLC6A3 (0.41) MEN1KMT2ACYP2C19CYP1A2CYP2D6
SCHEMBL3001081 0.80 ESR1 (0.43) MEN1KMT2ASLC6A3KDM4EALDH1A1
SCHEMBL2998775 0.79 MEN1 (0.38) MEN1KMT2AMAPTLMNASLC6A3
SCHEMBL2989144 0.78 PSEN1 (0.43) NR1H4
SCHEMBL5507890 0.78 SLC6A3 (0.31) CYP3A4CYP2C9SLC6A3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP claimed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US claimed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 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 (2 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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 PPARA 1167/4885MEN1 1967/4885KMT2A 2240/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 PPARA 1710/4885MEN1 2203/4885KMT2A 2654/4885

“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.