SCHEMBL1553435

SCHEMBL1553435

COc1ccc(CO)c2[nH]c(C3CC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.45
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
ADORA3 P0DMS8 3/20 0.38
ADORA1 P30542 3/20 0.38
PARP1 P09874 1/20 0.37
PBK Q96KB5 3/20 0.36
CDK1 P06493 1/20 0.35
CDK9 P50750 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CREBBP Q92793 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ADORA2A P29274 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8572374 0.85 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CADORA3
SCHEMBL8569992 0.80 PDE4A (0.48) PDE4DPDE4APDE4BPDE4CADORA3
SCHEMBL1554106 0.79 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CADORA3
SCHEMBL1552957 0.77 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CPARP1
SCHEMBL12435587 0.77 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CADORA3
Hydrochloric Acid SCHEMBL8568573 0.76 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CPARP1
SCHEMBL1553709 0.76 PDE4A (0.56) PDE4DPDE4APDE4BPDE4CPARP1
SCHEMBL8568569 0.76 PDE4A (0.56) PDE4DPDE4APDE4BPDE4CPARP1
SCHEMBL1553619 0.76 KMT2A (0.46) PDE4DPDE4APDE4BPDE4CADORA3
SCHEMBL1553428 0.75 PDE4A (0.45) 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.