SCHEMBL5098089

SCHEMBL5098089

Cn1c(SC2CCCCC2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.45
MAPK1 P28482 1/20 0.41
HSD17B1 P14061 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
VCP P55072 2/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5104563 0.82 HSD11B1 (0.52) HSD11B1MAPK1HSD17B1MEN1KMT2A
SCHEMBL5098620 0.82 HSD11B1 (0.52) HSD11B1MAPK1HSD17B1MEN1KMT2A
SCHEMBL5098113 0.80 ALDH1A1 (0.49) HSD11B1MAPK1HSD17B1MEN1KMT2A
SCHEMBL5095918 0.79 HSD11B1 (0.51) HSD11B1MAPK1HSD17B1MEN1KMT2A
SCHEMBL5092143 0.76 HSD11B1 (0.62) HSD11B1MAPK1HSD17B1MEN1KMT2A
SCHEMBL2667476 0.75 MEN1 (0.53) HSD11B1MAPK1HSD17B1MEN1KMT2A
SCHEMBL5095870 0.75 HSD11B1 (0.48) HSD11B1MAPK1HSD17B1MEN1KMT2A
SCHEMBL5098515 0.73 HSD11B1 (0.49) HSD11B1MAPK1HSD17B1MEN1KMT2A
SCHEMBL10708052 0.72 MAOA (0.44) MAPK1ALDH1A1MAOAMAOBGAA
SCHEMBL5104850 0.70 HSD11B1 (0.59) HSD11B1MAPK1HSD17B1MEN1KMT2A

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 1/4885MAPK1 358/4885HSD17B1 2/4885

“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.