SCHEMBL2993657

SCHEMBL2993657

CCOC(=O)C(C)(C)Oc1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD11B1 P28845 2/20 0.40
LMNA P02545 1/20 0.40
FBP1 P09467 5/20 0.37
ALDH1A1 P00352 3/20 0.37
CNR1 P21554 3/20 0.37
PPARG P37231 2/20 0.35
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
FAAH O00519 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
SCHEMBL3004303 0.89 HSD11B1 (0.45) PPARACYP1A2CYP3A4TSHRHSD11B1
SCHEMBL3001078 0.84 ESR1 (0.43) TSHRHSD11B1ALDH1A1MAPK1TP53
SCHEMBL5511644 0.84 PPARA (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3878885 0.81 HSD11B1 (0.49) HSD11B1LMNAALDH1A1CNR1FAAH
SCHEMBL3548268 0.80 HSD11B1 (0.48) HSD11B1LMNAALDH1A1PPARG
SCHEMBL15204265 0.80 HSD11B1 (0.42) HSD11B1FAAH
SCHEMBL15204245 0.79 HSD11B1 (0.43) HSD11B1ALDH1A1
SCHEMBL15204285 0.79 HSD11B1 (0.43) HSD11B1ALDH1A1FAAH
SCHEMBL2992145 0.79 HSD11B1 (0.51) HSD11B1CNR1
SCHEMBL208480 0.79 HSD11B1 (0.45) TSHRHSD11B1ALDH1A1MAPK1

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 PPARA 1167/4885ABCB11 1056/4885CYP1A2 299/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 PPARA 1710/4885ABCB11 701/4885CYP1A2 207/4885

“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.