SCHEMBL5091998

SCHEMBL5091998

CCCc1nnc(C23CC4CC(CC(C4)C2)C3)n1C1CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.65
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B1 P14061 1/20 0.35
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5095914 0.92 HSD11B1 (0.55) HSD11B1GAARAB9AHSD17B1MEN1
SCHEMBL5092152 0.88 HSD11B1 (0.60) HSD11B1GAARAB9AHSD17B1MEN1
SCHEMBL5091975 0.81 HSD11B1 (0.44) HSD11B1GAARAB9AHSD17B1MEN1
SCHEMBL5104799 0.80 HSD11B1 (0.70) HSD11B1GAARAB9AHSD17B1MEN1
SCHEMBL5104713 0.79 HSD11B1 (1.00) HSD11B1GAARAB9AHSD17B1MEN1
SCHEMBL5092260 0.78 HSD11B1 (0.81) HSD11B1GAARAB9AHSD17B1MEN1
SCHEMBL5145661 0.75 HSD11B1 (0.45) HSD11B1GAAHSD17B1MEN1KMT2A
SCHEMBL5092123 0.74 HSD11B1 (0.74) HSD11B1GAARAB9AHSD17B1MEN1
SCHEMBL2667919 0.74 HSD11B1 (0.40) HSD11B1GAARAB9AHSD17B1MEN1
SCHEMBL5092047 0.73 HSD11B1 (0.72) HSD11B1GAARAB9AHSD17B1MEN1

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 4 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
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

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 1/4885GAA 1127/4885RAB9A 4415/4885

“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.