SCHEMBL6490920

SCHEMBL6490920

COc1ccc(C2=NN(C3CCN(C(=O)CCS(=O)(=O)CCNCC(O)c4cc(Cl)c(N)c(C#N)c4)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.51
PDE7B Q9NP56 1/20 0.48
PDE4B Q07343 10/20 0.45
PDE4A P27815 7/20 0.45
PDE4C Q08493 7/20 0.45
PDE7A Q13946 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
Fumaric Acid SCHEMBL6485152 0.90 PDE4D (0.51) PDE4DPDE7BPDE4BPDE4APDE4C
Fumaric Acid SCHEMBL6485165 0.90 PDE4D (0.51) PDE4DPDE7BPDE4BPDE4APDE4C
SCHEMBL6485158 0.85 PDE4D (0.51) PDE4DPDE7BPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL6485783 0.84 PDE4D (0.52) PDE4DPDE7BPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL7190909 0.84 PDE4D (0.52) PDE4DPDE7BPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL6488947 0.84 PDE4D (0.56) PDE4DPDE7BPDE4BPDE4APDE4C
Fumaric Acid SCHEMBL6489081 0.83 PDE4D (0.47) PDE4DPDE7BPDE4BPDE4APDE4C
Fumaric Acid SCHEMBL6489086 0.83 PDE4D (0.47) PDE4DPDE7BPDE4BPDE4APDE4C
Fumaric Acid SCHEMBL6485227 0.83 PDE4B (0.46) PDE4DPDE7BPDE4BPDE4APDE4C
Fumaric Acid SCHEMBL6485236 0.83 PDE4B (0.46) PDE4DPDE7BPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 US disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 US disclosed
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 EP disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 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-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D PDE4D 19/4885PDE7B 23/4885PDE4B 11/4885

“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.