SCHEMBL381753

SCHEMBL381753

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CHRM3 P20309 2/20 0.36
HDAC3 O15379 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.35
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL381752 1.00 PKM (0.39) PKMTP53NPSR1LMNAMAPK1
SCHEMBL381029 0.90 TP53 (0.46) TP53HDAC1HDAC2
SCHEMBL381028 0.90 TP53 (0.46) TP53HDAC1HDAC2
SCHEMBL381162 0.89 TP53 (0.41) TP53NPSR1LMNAL3MBTL1HDAC1
SCHEMBL13072510 0.88 L3MBTL1 (0.38) TP53NPSR1LMNAMAPK1L3MBTL1
SCHEMBL18137064 0.88 HRH3 (0.43) TP53NPSR1LMNAL3MBTL1MAPT
SCHEMBL4028976 0.88 HSD11B1 (0.40) TP53EPHX2HSD11B1
SCHEMBL381487 0.88 ROCK2 (0.36) TP53CHRM3HSD11B1
SCHEMBL381822 0.87 HSD11B1 (0.37) TP53HDAC1HDAC2HDAC3EPHX2
SCHEMBL13031209 0.87 HSD11B1 (0.37) TP53HDAC1HDAC2HDAC3EPHX2

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 PKM 570/4885TP53 4717/4885NPSR1 842/4885

“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.