SCHEMBL5098633

SCHEMBL5098633

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.83
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
HSD17B1 P14061 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE1C Q14123 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL14277224 0.96 HSD11B1 (0.81) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5092159 0.91 HSD11B1 (1.00) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5104510 0.84 HSD11B1 (0.77) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5092039 0.84 HSD11B1 (0.76) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5092197 0.84 HSD11B1 (1.00) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5092260 0.81 HSD11B1 (0.81) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5104988 0.80 HSD11B1 (0.69) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5098608 0.79 HSD11B1 (0.91) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5104759 0.78 HSD11B1 (0.89) HSD11B1GAARAB9AHPGDSMN1; SMN2
SCHEMBL5098636 0.78 HSD11B1 (0.68) HSD11B1GAARAB9AHPGDSMN1; SMN2

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 2 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-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.