SCHEMBL412036

SCHEMBL412036

COC(=O)N1CCC(N2CC[C@@H](Cc3c(Cl)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH2 P25021 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LRRK2 Q5S007 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL412037 1.00 HRH3 (0.43) HRH3ALDH1A1POLBCHRM2CHRM1
SCHEMBL18137064 0.92 HRH3 (0.43) HRH3ALDH1A1NPSR1MEN1KMT2A
SCHEMBL416495 0.91 GPR119 (0.44) HRH3ALDH1A1CHRM2CHRM1ADRA2C
SCHEMBL416496 0.91 GPR119 (0.44) HRH3ALDH1A1CHRM2CHRM1ADRA2C
SCHEMBL14391769 0.90 CCNC (0.39) HRH3LRRK2L3MBTL3L3MBTL1
SCHEMBL13072513 0.90 HRH3 (0.44) HRH3ALDH1A1POLBCHRM2CHRM1
SCHEMBL209661 0.90 PKM (0.44) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL209660 0.90 PKM (0.44) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL15216406 0.89 HSD11B1 (0.41) HRH3ALDH1A1SLC6A4MEN1KMT2A
SCHEMBL381542 0.89 NAMPT (0.36) HRH3LRRK2

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 8 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 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-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US 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
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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
WO-2007127901-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 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-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HRH3 3587/4885ALDH1A1 141/4885POLB 2303/4885

“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.