SCHEMBL4839768

SCHEMBL4839768

Cc1cn(Cc2ccc3occc3c2)c2cc(C(=O)O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.57
PDE4A P27815 11/20 0.51
PDE4B Q07343 11/20 0.51
PDE4C Q08493 11/20 0.51
PDE4D Q08499 11/20 0.51
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL8600073 0.89 PDE4A (0.47) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1553512 0.82 PDE4A (0.66) SLC22A12PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8602395 0.81 PDE4A (0.64) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8604908 0.79 SLC22A12 (0.67) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8599922 0.79 SLC22A12 (0.74) SLC22A12PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8604859 0.78 SLC22A12 (0.65) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8604636 0.78 SLC22A12 (0.65) SLC22A12PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8598410 0.78 SLC22A12 (0.72) SLC22A12PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8601162 0.77 SLC22A12 (0.64) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1553375 0.77 PDE4A (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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.