SCHEMBL5092167

SCHEMBL5092167

Cn1c(-c2cccc(Cl)c2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.71
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.42
NR1I2 O75469 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL5104997 0.88 HSD11B1 (0.77) HSD11B1MEN1KMT2A
SCHEMBL5095896 0.84 HSD11B1 (0.74) HSD11B1NR1I2
Fig 1 SCHEMBL5095865 0.84 HSD11B1 (1.00) HSD11B1NR1I2
SCHEMBL5095883 0.83 HSD11B1 (0.65) HSD11B1NR1I2MEN1KMT2A
SCHEMBL5092255 0.81 HSD11B1 (0.67) HSD11B1CYP1A2
SCHEMBL5092195 0.78 HSD11B1 (0.78) HSD11B1MAPTNR1I2MEN1CYP1A2
SCHEMBL5139131 0.77 HSD11B1 (0.47) HSD11B1MEN1CYP2C9KMT2A
SCHEMBL5095927 0.76 HSD11B1 (0.67) HSD11B1
SCHEMBL5105117 0.76 HSD11B1 (0.74) HSD11B1
SCHEMBL5098612 0.76 HSD11B1 (0.74) HSD11B1NR1I2MEN1KMT2A

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 1/4885TP53 4767/4885MAPT 3388/4885

“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.