SCHEMBL5097998

SCHEMBL5097998

CCCn1c(C2CC2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.65
ADORA1 P30542 2/20 0.40
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B1 P14061 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL5098640 0.88 HSD11B1 (0.60) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5095935 0.81 HSD11B1 (0.49) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5095947 0.81 HSD11B1 (0.44) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5104945 0.80 HSD11B1 (0.83) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5098546 0.80 HSD11B1 (0.51) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5092159 0.79 HSD11B1 (1.00) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5092265 0.78 HSD11B1 (0.43) HSD11B1GAARAB9ASMN1; SMN2HSD17B1
SCHEMBL5092260 0.78 HSD11B1 (0.81) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5092039 0.75 HSD11B1 (0.76) HSD11B1ADORA1GAARAB9AHPGD
SCHEMBL5098790 0.75 HSD17B10 (0.46) HSD11B1GAASMN1; SMN2KMT2AMEN1

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.