SCHEMBL3743299

SCHEMBL3743299

COC(=O)c1ccc(-c2ccc3sc(CC4CCN(C5CCCCC5)C4=O)cc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PDE4D Q08499 2/20 0.36
PDE7A Q13946 2/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
MERTK Q12866 1/20 0.35
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 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
SCHEMBL3744296 0.89 HSD11B1 (0.47) HSD11B1PDE4DPDE7APDE4BPDE4A
SCHEMBL4701592 0.83 HSD11B1 (0.49) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL4700534 0.83 HSD11B1 (0.48) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL13266278 0.80 HSD11B1 (0.44) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL208480 0.79 HSD11B1 (0.45) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL4518607 0.78 HSD11B1 (0.63) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL3751315 0.78 HSD11B1 (0.43) HSD11B1S1PR5
SCHEMBL208293 0.78 HSD11B1 (0.43) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL3741588 0.78 HSD11B1 (0.50) HSD11B1ALDH1A1NPSR1RAB9AMEN1
SCHEMBL14143549 0.78 HSD11B1 (0.50) HSD11B1ALDH1A1MEN1KMT2A

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 7 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 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 107/4885SMN1; SMN2 4007/4885

“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.