SCHEMBL5098135

SCHEMBL5098135

O=C(O)Cn1c(-c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.60
BACE1 P56817 9/20 0.44
CTSD P07339 8/20 0.44
BACE2 Q9Y5Z0 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PTGES O14684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5104962 0.90 HSD11B1 (0.57) HSD11B1BACE1CTSDBACE2PTGES
SCHEMBL5104830 0.87 HSD11B1 (0.57) HSD11B1BACE1CTSDBACE2NPC1
SCHEMBL14277215 0.87 HSD11B1 (0.57) HSD11B1BACE1CTSDBACE2KDM4E
SCHEMBL5098753 0.83 HSD11B1 (0.68) HSD11B1BACE1CTSDBACE2KDM4E
SCHEMBL14301956 0.82 HSD11B1 (0.60) HSD11B1BACE1CTSDBACE2PTGES
SCHEMBL5092071 0.82 HSD11B1 (0.63) HSD11B1KDM4EL3MBTL1NPSR1MAPK1
SCHEMBL5095890 0.81 HSD11B1 (0.69) HSD11B1BACE1CTSDBACE2MAPK1
SCHEMBL5104544 0.80 HSD11B1 (0.60) HSD11B1BACE1CTSDBACE2KDM4E
SCHEMBL5098106 0.79 HSD11B1 (0.66) HSD11B1KDM4EHSD17B10ALDH1A1HPGD
Fig 1 SCHEMBL5095865 0.75 HSD11B1 (1.00) HSD11B1MAPK1

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-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
EP-1474139-A4 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO INC (US) 2005-06-29 EP disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1474139-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA Merck & Co., Inc. (US) 2004-11-10 EP disclosed
WO-2003065983-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-08-14 WO 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885BACE1 634/4885CTSD 2769/4885

“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.