SCHEMBL1553629

SCHEMBL1553629

COc1ccc(C(=O)O)c2nc(C3CCCC3)n(C)c12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.65
PDE4A P27815 3/20 0.65
PDE4B Q07343 3/20 0.65
PDE4C Q08493 3/20 0.65
POLB P06746 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
TNK2 Q07912 2/20 0.37
F2 P00734 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
Hydrochloric Acid SCHEMBL8573929 0.99 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL1554931 0.90 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL8573926 0.89 PDE4A (0.67) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL1553952 0.89 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPOLB
Hydrochloric Acid SCHEMBL8575508 0.89 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL8605672 0.82 PDE4A (0.54) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL1553951 0.82 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL8575498 0.82 PDE4A (0.67) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL2331285 0.80 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL1553543 0.79 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR PDE4D 314/4885PDE4A 76/4885PDE4B 85/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 PDE4D 4115/4885PDE4A 3861/4885PDE4B 3722/4885

“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.