SCHEMBL1553385

SCHEMBL1553385

Cc1cn(C(c2cccc3[nH]nnc23)C2CCCCO2)c2cc(C(=O)O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.36
PTGER4 P35408 3/20 0.33
PDE4A P27815 4/20 0.32
PDE4B Q07343 4/20 0.32
PDE4C Q08493 4/20 0.32
PDE4D Q08499 4/20 0.32
HCAR3 P49019 2/20 0.31
FABP4 P15090 1/20 0.31
SLC6A3 Q01959 2/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL1555420 0.85 PTGER4 (0.37) SLC22A12PTGER4
SCHEMBL1554928 0.66 SLC22A12 (0.44) SLC22A12PTGER4PDE4APDE4BPDE4C
SCHEMBL1554166 0.65 CYSLTR2 (0.42) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL7402575 0.65 HTR3A (0.38) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8571276 0.65 SLC22A12 (0.44) SLC22A12PTGER4PDE4APDE4BPDE4C
SCHEMBL1552977 0.64 CYSLTR2 (0.42) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1553381 0.64 CYSLTR2 (0.42) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1553899 0.64 SLC22A12 (0.54) SLC22A12PTGER4PDE4APDE4BPDE4C
SCHEMBL1553876 0.63 CYSLTR2 (0.40) SLC22A12PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8602666 0.63 SLC22A12 (0.53) SLC22A12PTGER4PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP 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 SLC22A12 3459/4885PTGER4 441/4885PDE4A 76/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 SLC22A12 1326/4885PTGER4 1226/4885PDE4A 3861/4885

“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.