SCHEMBL3554794

SCHEMBL3554794

O=C(O)CCCOc1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
FFAR4 Q5NUL3 8/20 0.41
FFAR1 O14842 5/20 0.41
CYP2C9 P11712 1/20 0.40
SCN5A Q14524 1/20 0.40
FABP3 P05413 3/20 0.39
FABP4 P15090 3/20 0.39
S1PR1 P21453 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2999215 0.95 HSD11B1 (0.46) HSD11B1FFAR4FFAR1CYP2C9SCN5A
SCHEMBL3548865 0.91 HSD11B1 (0.43) HSD11B1FFAR4FFAR1CYP2C9SCN5A
SCHEMBL3548268 0.91 HSD11B1 (0.48) HSD11B1FFAR1CYP2C9PTGDR2PDE4A
SCHEMBL2998771 0.90 HSD11B1 (0.41) HSD11B1S1PR1PDE4APDE4BPDE4C
SCHEMBL3001199 0.88 FFAR4 (0.43) HSD11B1FFAR4FFAR1CYP2C9SCN5A
SCHEMBL3555481 0.86 HRH3 (0.51)
SCHEMBL2989138 0.86 HSD11B1 (0.50) HSD11B1FFAR4FFAR1S1PR1KMT2A
SCHEMBL3878885 0.85 HSD11B1 (0.49) HSD11B1CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL3549680 0.85 HSD11B1 (0.43) HSD11B1PDE4APDE4BPDE4CPDE4D
SCHEMBL3545808 0.85 HRH3 (0.47) HSD11B1

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 10 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
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-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
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
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 HSD11B1 1/4885FFAR4 661/4885FFAR1 264/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885FFAR4 1273/4885FFAR1 421/4885

“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.