SCHEMBL3746550

SCHEMBL3746550

O=C1C(Cc2cc3ccc(Br)cc3s2)CCN1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR7 P34969 4/20 0.33
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR6 P50406 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
CLK1 P49759 1/20 0.30

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
SCHEMBL3741588 0.91 HSD11B1 (0.50) HSD11B1ALDH1A1MAPTKDM4EPOLB
SCHEMBL3744360 0.85 HSD11B1 (0.60) HSD11B1CHRNA7
SCHEMBL14143484 0.84 HSD11B1 (0.47) HSD11B1KMT2A
SCHEMBL14143549 0.80 HSD11B1 (0.50) HSD11B1ALDH1A1KMT2AMCOLN3
SCHEMBL4697246 0.79 HSD11B1 (0.61) HSD11B1ALDH1A1MAPTKDM4EPOLB
SCHEMBL4514748 0.76 HSD11B1 (0.74) HSD11B1ALDH1A1MAPTPOLBKMT2A
SCHEMBL4524618 0.75 HSD11B1 (0.55) HSD11B1ALDH1A1
SCHEMBL2990822 0.74 HSD11B1 (0.54) HSD11B1ALDH1A1MAPTKDM4EPOLB
SCHEMBL3744296 0.74 HSD11B1 (0.47) HSD11B1
SCHEMBL5323226 0.73 HSD11B1 (0.35) HSD11B1ALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US claimed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US claimed
EP-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 EP claimed
EP-1830840-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP claimed
WO-2006068991-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 WO claimed
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 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-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD17B10 HSD11B1 1/4885ALDH1A1 107/4885MAPT 4362/4885

“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.