SCHEMBL1553033

SCHEMBL1553033

Cc1cn(CCCC2CCCCC2)c2cc(C(=O)O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.67
PDE4B Q07343 12/20 0.67
PDE4C Q08493 12/20 0.67
PDE4D Q08499 12/20 0.67
SLC22A12 Q96S37 3/20 0.53
KDM4C Q9H3R0 1/20 0.43
CNR1 P21554 1/20 0.40

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
SCHEMBL1554927 0.94 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8603044 0.90 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1553972 0.88 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554911 0.86 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1553088 0.86 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSLC22A12
Hydrochloric Acid SCHEMBL8601553 0.85 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8602085 0.84 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8599992 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DSLC22A12
Hydrochloric Acid SCHEMBL8601796 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554767 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DSLC22A12

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 6 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

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.