SCHEMBL5092197

SCHEMBL5092197

CCCCn1c(C)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 1.00
GAA P10253 3/20 0.41
RAB9A P51151 1/20 0.41
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE1C Q14123 2/20 0.36
HSD17B1 P14061 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5098608 0.95 HSD11B1 (0.91) HSD11B1GAARAB9AADORA1ADORA3
SCHEMBL5104759 0.94 HSD11B1 (0.89) HSD11B1GAARAB9AADORA1ADORA3
SCHEMBL5104945 0.91 HSD11B1 (0.83) HSD11B1GAARAB9AADORA1ADORA3
SCHEMBL5095965 0.84 HSD11B1 (0.72) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5098633 0.84 HSD11B1 (0.83) HSD11B1GAARAB9AADORA1ADORA3
SCHEMBL5098106 0.80 HSD11B1 (0.66) HSD11B1HPGDHSD17B10
SCHEMBL14277224 0.79 HSD11B1 (0.81) HSD11B1GAARAB9AADORA1HPGD
SCHEMBL5092039 0.77 HSD11B1 (0.76) HSD11B1GAARAB9AADORA1ADORA3
SCHEMBL5104850 0.75 HSD11B1 (0.59) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5092159 0.74 HSD11B1 (1.00) HSD11B1GAARAB9AADORA1ADORA3

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.