SCHEMBL474877

SCHEMBL474877

O=C(O)c1ccc(-c2cc(Cl)c([C@H](C3CCC(F)(F)CC3)C3CCNC3=O)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE7A Q13946 2/20 0.39
PDE1C Q14123 2/20 0.39
PDE3A Q14432 2/20 0.39
RXRA P19793 4/20 0.35
RXRB P28702 4/20 0.35
PDK2 Q15119 1/20 0.33
P2RX7 Q99572 1/20 0.32
AKR1C2 P52895 2/20 0.32
AKR1C1 Q04828 2/20 0.32
TDP2 O95551 1/20 0.32
ADRB3 P13945 2/20 0.32
ADRB1 P08588 1/20 0.32
RXRG P48443 1/20 0.31
AKT1 P31749 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL3946179 1.00 PDE5A (0.39) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL4207175 1.00 PDE5A (0.39) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL474994 0.89 KDM4E (0.35) AKR1C2AKR1C1
SCHEMBL209307 0.88 PDE4D (0.41) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL4067647 0.86 POLB (0.37) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL208452 0.83 PDE4D (0.35) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL4060990 0.81 SRD5A2 (0.32) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL208541 0.81 SRD5A2 (0.32) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL208778 0.78 MEN1 (0.32) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL209158 0.78 MEN1 (0.32) PDE5APDE1APDE1BPDE4DPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049475-B1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-02-01 EP claimed
US-7998999-B2 Cyclohexyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-16 US claimed
US-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-09-24 US claimed
EP-2049475-B1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-02-01 EP disclosed
US-7998999-B2 Cyclohexyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-16 US disclosed
US-7816349-B2 Substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
EP-2029529-B1 SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-07-07 EP disclosed
US-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-09-24 US disclosed
US-20090069326-A1 SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-03-12 US disclosed
EP-2029529-A1 SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007127693-A1 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 (2 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-20090069326-A1 SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 PDE5A 232/4885PDE1A 593/4885PDE1B 706/4885
US-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 PDE5A 213/4885PDE1A 1009/4885PDE1B 1088/4885

“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.