SCHEMBL3000863

SCHEMBL3000863

CC(C)Oc1cc(Cl)c(CC2CCN([C@H]3CC[C@@H](O)CC3)C2=O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.38
HSD11B1 P28845 2/20 0.36
PTGDR Q13258 3/20 0.35
HTR2A P28223 5/20 0.34
PPOX P50336 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL2993083 1.00 FFAR4 (0.38) FFAR4HSD11B1PTGDRHTR2APPOX
SCHEMBL2997454 0.88 HSD11B1 (0.38) FFAR4HSD11B1HTR2APRKDC
SCHEMBL2994422 0.88 HSD11B1 (0.38) FFAR4HSD11B1HTR2APRKDC
SCHEMBL2995492 0.84 HSD11B1 (0.42) HSD11B1
SCHEMBL3001286 0.84 HSD11B1 (0.42) HSD11B1
SCHEMBL2993384 0.83 HSD11B1 (0.41) HSD11B1
SCHEMBL2995921 0.83 HSD11B1 (0.41) HSD11B1
SCHEMBL2987604 0.82 FFAR4 (0.33) FFAR4HSD11B1HTR2A
SCHEMBL2987602 0.82 FFAR4 (0.33) FFAR4HSD11B1HTR2A
SCHEMBL209337 0.79 HSD11B1 (0.48) HSD11B1CYP2D6

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 FFAR4 661/4885HSD11B1 1/4885PTGDR 1328/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 FFAR4 1273/4885HSD11B1 1/4885PTGDR 636/4885

“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.