SCHEMBL4696680

SCHEMBL4696680

COc1ccc2cc(CC3CCCN(C4CCC(O)CC4)C3=O)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
KDM2B Q8NHM5 12/20 0.40
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MCHR1 Q99705 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4701305 1.00 HSD11B1 (0.41) HSD11B1KDM2BPTGS1AKR1C3AKR1C2
SCHEMBL4700723 1.00 HSD11B1 (0.41) HSD11B1KDM2BPTGS1AKR1C3AKR1C2
SCHEMBL4696931 0.98 HSD11B1 (0.40) HSD11B1KDM2BPTGS1AKR1C3AKR1C2
SCHEMBL4697328 0.98 HSD11B1 (0.40) HSD11B1KDM2BPTGS1AKR1C3AKR1C2
SCHEMBL4700696 0.93 HSD11B1 (0.45) HSD11B1KDM2BPTGS1AKR1C3AKR1C2
SCHEMBL4697507 0.93 HSD11B1 (0.45) HSD11B1KDM2BPTGS1AKR1C3AKR1C2
SCHEMBL4697427 0.88 HSD11B1 (0.49) HSD11B1
SCHEMBL4696982 0.88 HSD11B1 (0.49) HSD11B1
SCHEMBL4696983 0.88 HSD11B1 (0.49) HSD11B1
SCHEMBL4698838 0.84 HSD11B1 (0.60) HSD11B1KDM2BHCRTR1HCRTR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US claimed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP claimed
EP-1830841-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP claimed
WO-2006068992-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 WO claimed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 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 (1 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-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885KDM2B 3248/4885PTGS1 130/4885

“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.