SCHEMBL1553375

SCHEMBL1553375

Cc1cn(Cc2ccc3c(c2)OCO3)c2cc(C(=O)O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.67
PDE4B Q07343 3/20 0.67
PDE4C Q08493 3/20 0.67
PDE4D Q08499 3/20 0.67
SLC22A12 Q96S37 4/20 0.58
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK10 P53779 1/20 0.47
HIF1A Q16665 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
TP53 P04637 2/20 0.46

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 SCHEMBL8601429 0.99 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8601425 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554280 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8600182 0.87 SLC22A12 (0.76) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8604908 0.80 SLC22A12 (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8599922 0.80 SLC22A12 (0.74) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8604636 0.79 SLC22A12 (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
Hydrochloric Acid SCHEMBL8604859 0.79 SLC22A12 (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
Hydrochloric Acid SCHEMBL8598410 0.78 SLC22A12 (0.72) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL7395686 0.78 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSLC22A12

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
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.