SCHEMBL5098014

SCHEMBL5098014

OCCCCCn1c(S)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.50
CNR2 P34972 7/20 0.38
HSD17B1 P14061 1/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 2/20 0.32

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
SCHEMBL5104778 0.99 HSD11B1 (0.51) HSD11B1CNR2HSD17B1GAARAB9A
SCHEMBL5092252 0.81 HSD11B1 (0.53) HSD11B1CNR2HSD17B1GAARAB9A
SCHEMBL14277213 0.78 HSD11B1 (0.51) HSD11B1CNR2GAARAB9AHPGD
SCHEMBL14277211 0.76 HSD11B1 (0.52) HSD11B1CNR2GAARAB9A
SCHEMBL5092286 0.76 HSD11B1 (0.63) HSD11B1HSD17B1GAARAB9AHPGD
SCHEMBL5104704 0.75 HSD11B1 (0.46) HSD11B1HSD17B1GAARAB9AHPGD
Trifluoroacetic Acid SCHEMBL6354775 0.70 HSD11B1 (0.43) HSD11B1CNR2
SCHEMBL5104759 0.70 HSD11B1 (0.89) HSD11B1CNR2HSD17B1GAARAB9A
Trifluoroacetic Acid SCHEMBL6356669 0.69 HSD11B1 (0.44) HSD11B1CNR2
SCHEMBL5098608 0.69 HSD11B1 (0.91) HSD11B1CNR2HSD17B1GAARAB9A

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-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-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO INC (US) 2007-11-21 EP 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 1/4885CNR2 4030/4885HSD17B1 2/4885

“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.