SCHEMBL5098598

SCHEMBL5098598

Cn1c(SCc2ccccn2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
HSD11B1 P28845 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.45
IL15 P40933 1/20 0.42
IL15RA Q13261 1/20 0.42
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5092083 0.80 MEN1 (0.48) L3MBTL1GAARAB9AALDH1A1MAPT
SCHEMBL14277210 0.78 ALDH1A1 (0.47) GAALMNARAB9AALDH1A1HSD11B1
SCHEMBL2667476 0.76 MEN1 (0.53) GAARAB9AALDH1A1HSD11B1MEN1
SCHEMBL5092143 0.71 HSD11B1 (0.62) GAATSHRRAB9AALDH1A1MAPT
SCHEMBL5095918 0.71 HSD11B1 (0.51) L3MBTL1GAARAB9AALDH1A1HSD11B1
Trifluoroacetic Acid SCHEMBL5092182 0.71 MEN1 (0.46) GAALMNARAB9AALDH1A1MAPT
SCHEMBL14277204 0.70 MAPK1 (0.49) GAARAB9AALDH1A1HSD11B1MEN1
SCHEMBL5098113 0.69 ALDH1A1 (0.49) GAARAB9AALDH1A1HSD11B1MEN1
SCHEMBL5098564 0.69 ALDH1A1 (0.54) GAALMNATSHRALDH1A1HSD11B1
SCHEMBL5095815 0.69 HSD11B1 (0.60) LMNAALDH1A1HSD11B1MEN1KMT2A

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 L3MBTL1 1964/4885GAA 1127/4885LMNA 2584/4885

“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.