SCHEMBL12736733

SCHEMBL12736733

CNC(=O)C12CCC(C(N)=O)(CC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.36
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33

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
SCHEMBL25783651 0.81 PKM (0.50) PKMKDM4EKMT2ATHRB
SCHEMBL20910305 0.79 PKM (0.48) PKMKDM4EKMT2AHSD11B1HSD11B2
SCHEMBL12736739 0.79 SPHK1 (0.38) THRB
SCHEMBL4449130 0.78 THRB (0.37) PKMKDM4EKMT2ATHRB
SCHEMBL13157085 0.76 THRB (0.33) KDM4EKMT2ATHRB
SCHEMBL1679811 0.74 HSD11B1 (0.39) THRBHSD11B1
SCHEMBL2199488 0.73 KDM4E (0.39) PKMKDM4EKMT2A
SCHEMBL17132562 0.73 THRB (0.34) THRB
SCHEMBL4317039 0.73 THRB (0.34) PKMTHRB
SCHEMBL17226613 0.72 PKM (0.56) PKMKDM4EKMT2AHSD11B1HSD11B2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932280-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2011-04-26 US disclosed
US-7932280-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2011-04-26 US disclosed
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2009-02-05 US disclosed
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2009-02-05 US disclosed
WO-2007087150-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2007-08-02 WO 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-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 PKM 1889/4885KDM4E 4025/4885KMT2A 3305/4885

“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.