SCHEMBL5092159

SCHEMBL5092159

CCCn1c(CC)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 1.00
ADORA1 P30542 2/20 0.41
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B1 P14061 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
SLC22A11 Q9NSA0 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5098633 0.91 HSD11B1 (0.83) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL14277224 0.90 HSD11B1 (0.81) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5092260 0.89 HSD11B1 (0.81) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5104510 0.87 HSD11B1 (0.77) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5092039 0.87 HSD11B1 (0.76) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5104945 0.83 HSD11B1 (0.83) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5104988 0.82 HSD11B1 (0.69) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5104835 0.81 HSD11B1 (0.68) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5098636 0.81 HSD11B1 (0.68) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5097998 0.79 HSD11B1 (0.65) HSD11B1ADORA1GAARAB9AHPGD

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 1/4885ADORA1 3503/4885GAA 1127/4885

“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.