SCHEMBL381822

SCHEMBL381822

NC(=O)N1CCC(N2CCC(Cc3c(Cl)cc(-c4ccc(F)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 1/20 0.35
TP53 P04637 2/20 0.35
DPP4 P27487 4/20 0.34
DPP7 Q9UHL4 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ROCK2 O75116 1/20 0.34
OPRL1 P41146 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
SCN9A Q15858 1/20 0.33
EPHX2 P34913 1/20 0.33
HTR2B P41595 1/20 0.32
CACNA1B Q00975 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13031209 1.00 HSD11B1 (0.37) HSD11B1KCNH2MCHR1TP53DPP4
SCHEMBL4028976 0.91 HSD11B1 (0.40) HSD11B1KCNH2TP53DPP4DPP7
SCHEMBL13031221 0.90 PARP1 (0.36) HSD11B1MCHR1DPP4DPP7DPP8
SCHEMBL381162 0.87 TP53 (0.41) HSD11B1MCHR1TP53HDAC3HDAC1
SCHEMBL381752 0.87 PKM (0.39) HSD11B1TP53HDAC3HDAC1HDAC2
SCHEMBL381753 0.87 PKM (0.39) HSD11B1TP53HDAC3HDAC1HDAC2
SCHEMBL13031220 0.87 HTR2A (0.35) HSD11B1MCHR1
SCHEMBL13031218 0.86 MET (0.36) HSD11B1HTR2B
SCHEMBL381326 0.85 EPHX2 (0.40) TP53DPP4DPP7EPHX2KMT2A
SCHEMBL13031210 0.85 EPHX2 (0.40) TP53DPP4DPP7EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP claimed
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US claimed
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US claimed
EP-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP disclosed
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885KCNH2 3502/4885MCHR1 1288/4885

“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.