SCHEMBL2999386

SCHEMBL2999386

C[C@@H]1CCCC[C@@H]1N1CCC(Cc2ccc(-c3ccccc3)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.60
ROCK2 O75116 2/20 0.43
CYP26A1 O43174 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
GRM2 Q14416 1/20 0.38
CES2 O00748 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR5 P51681 1/20 0.36
CHRNA7 P36544 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL2991618 1.00 HSD11B1 (0.60) HSD11B1ROCK2CYP26A1HRH3GRM2
SCHEMBL2999388 1.00 HSD11B1 (0.60) HSD11B1ROCK2CYP26A1HRH3GRM2
SCHEMBL3542808 0.84 HSD11B1 (0.84) HSD11B1ROCK2CYP26A1CES2MEN1
SCHEMBL2993232 0.81 HSD11B1 (0.49) HSD11B1HRH3CES2ALDH1A1
SCHEMBL2993230 0.81 HSD11B1 (0.49) HSD11B1HRH3CES2ALDH1A1
SCHEMBL2993234 0.81 HSD11B1 (0.49) HSD11B1HRH3CES2ALDH1A1
SCHEMBL5244705 0.76 HSD11B1 (0.70) HSD11B1ROCK2ALDH1A1
SCHEMBL2986964 0.75 HSD11B1 (1.00) HSD11B1ROCK2CES2MEN1ALDH1A1
SCHEMBL2999557 0.72 LMNA (0.44) HSD11B1ROCK2MEN1ALDH1A1KMT2A
SCHEMBL2999554 0.72 LMNA (0.44) HSD11B1ROCK2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 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-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP 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 1/4885ROCK2 3649/4885CYP26A1 55/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885ROCK2 3201/4885CYP26A1 71/4885

“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.