SCHEMBL1552835

SCHEMBL1552835

COC(=O)c1ccc2c(C)cn(CCC(C)c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.46
PDE4A P27815 10/20 0.44
PDE4B Q07343 10/20 0.44
PDE4C Q08493 10/20 0.44
PDE4D Q08499 10/20 0.44
CNR2 P34972 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
APOBEC3A P31941 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL1552940 0.89 SLC22A12 (0.58) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8605195 0.87 SLC22A12 (0.47) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL7551863 0.82 HDAC3 (0.47) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8602794 0.80 SLC22A12 (0.60) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1555363 0.80 PDE4A (0.63) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1554558 0.79 PDE4A (0.62) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8600636 0.79 PDE4A (0.57) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL2806053 0.77 PDE4A (0.49) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1552837 0.76 PPARA (0.41) SLC22A12PPARAMEN1KMT2AKDM4E
SCHEMBL1553503 0.76 PDE4A (0.61) SLC22A12PDE4APDE4BPDE4CPDE4D

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-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 (1 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-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 SLC22A12 1326/4885PDE4A 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.