SCHEMBL1553428

SCHEMBL1553428

COCc1nc2c(OC)ccc(CO)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
CACNA1H O95180 1/20 0.35
NQO2 P16083 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHR1 P34998 2/20 0.33
PTGES O14684 1/20 0.32

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
SCHEMBL8574115 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL1552634 0.79 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL1553405 0.78 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPTGES
SCHEMBL8571856 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPTGES
SCHEMBL1552847 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPTGES
Hydrochloric Acid SCHEMBL8571865 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPTGES
SCHEMBL1554273 0.76 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL1553435 0.75 PDE4D (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL15767459 0.72 CACNA1H (0.43) CACNA1HNPC1RAB9ASMN1; SMN2PTGES
SCHEMBL8569965 0.71 RAB9A (0.48) NPC1RAB9ASMN1; SMN2

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 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.