SCHEMBL5098044

SCHEMBL5098044

COc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)n2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.71
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSD P07339 3/20 0.39
BACE1 P56817 3/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
CREBBP Q92793 1/20 0.39
REN P00797 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL5092195 0.86 HSD11B1 (0.78) HSD11B1RAB9ANPC1ALDH1A1MEN1
SCHEMBL5098586 0.85 HSD11B1 (0.64) HSD11B1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5105117 0.83 HSD11B1 (0.74) HSD11B1ALDH1A1GAA
SCHEMBL5095896 0.83 HSD11B1 (0.74) HSD11B1
SCHEMBL14301752 0.83 HSD11B1 (0.74) HSD11B1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5098612 0.83 HSD11B1 (0.74) HSD11B1RAB9AALDH1A1MEN1KMT2A
SCHEMBL14307395 0.83 HSD11B1 (0.66) HSD11B1RAB9AALDH1A1MEN1KMT2A
Fig 1 SCHEMBL5095865 0.83 HSD11B1 (1.00) HSD11B1
SCHEMBL8298326 0.81 HSD11B1 (0.53) HSD11B1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5104995 0.81 HSD11B1 (0.71) HSD11B1RAB9AALDH1A1MEN1KMT2A

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 1/4885RAB9A 4415/4885NPC1 205/4885

“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.