SCHEMBL1553391

SCHEMBL1553391

COc1ccc(C(=O)O)c2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.58
PDE4B Q07343 3/20 0.58
PDE4C Q08493 3/20 0.58
PDE4D Q08499 3/20 0.58
RNASEH1 O60930 1/20 0.44
BRS3 P32247 4/20 0.44
MMP2 P08253 1/20 0.43
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
ECE1 P42892 1/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
NTRK1 P04629 3/20 0.40
NTRK2 Q16620 3/20 0.40
DHODH Q02127 1/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40

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 SCHEMBL8571356 0.99 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL8570416 0.93 PDE4D (0.52) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL1553518 0.91 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL8571347 0.91 PDE4D (0.59) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL1553610 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DRNASEH1
Hydrochloric Acid SCHEMBL8575070 0.88 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL8569941 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMMP2
SCHEMBL1554148 0.86 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM5A
SCHEMBL8570317 0.84 PDE4D (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL8574189 0.83 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DRNASEH1

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 10 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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO 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 PDE4A 76/4885PDE4B 85/4885PDE4C 115/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 PDE4A 3861/4885PDE4B 3722/4885PDE4C 3165/4885

“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.