SCHEMBL1553312

SCHEMBL1553312

Cc1cn(C(C)C2CCCCC2)c2cc(C(=O)Nc3ccncn3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
RPS6KA2 Q15349 2/20 0.43
MAPKAPK2 P49137 1/20 0.41
GNRHR P30968 1/20 0.40
NAMPT P43490 1/20 0.40
PTGER4 P35408 1/20 0.39
S1PR1 P21453 1/20 0.37
MAPK14 Q16539 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ACKR3 P25106 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NLRP3 Q96P20 2/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL1554723 0.81 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL1553311 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DRPS6KA2
SCHEMBL1554928 0.78 SLC22A12 (0.44) PDE4APDE4BPDE4CPDE4DPTGER4
SCHEMBL1554768 0.77 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DPTGER4
Hydrochloric Acid SCHEMBL8571276 0.77 SLC22A12 (0.44) PDE4APDE4BPDE4CPDE4DPTGER4
SCHEMBL7366097 0.73 GNRHR (0.43) PDE4APDE4BPDE4CPDE4DRPS6KA2
SCHEMBL4237041 0.65 POLB (0.63) NAMPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8601090 0.65 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPTGER4
SCHEMBL1553973 0.65 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DPTGER4
SCHEMBL7414376 0.65 PDE4D (0.66) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP claimed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US claimed
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 claimed
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 claimed
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

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.