SCHEMBL6586601

SCHEMBL6586601

COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OCCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 1.00
PDE4A P27815 15/20 1.00
PDE4B Q07343 15/20 1.00
PDE4C Q08493 15/20 1.00

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
Hydrochloric Acid SCHEMBL6590136 0.87 PDE4D (0.98) PDE4DPDE4APDE4BPDE4C
SCHEMBL6592499 0.87 PDE4D (0.77) PDE4DPDE4APDE4BPDE4C
SCHEMBL6585981 0.83 PDE4D (0.70) PDE4DPDE4APDE4BPDE4C
SCHEMBL6592230 0.80 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL6592235 0.80 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586660 0.80 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL7450274 0.76 PDE4D (0.66) PDE4DPDE4APDE4BPDE4C
SCHEMBL6588161 0.76 PDE4A (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL8344691 0.76 PDE4A (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586232 0.75 PDE4D (0.62) PDE4DPDE4APDE4BPDE4C

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-6589951-B1 N right-arrowO derivatives and pharmaceutically acceptable salt thereof are PDE 4 and TNF pharmaceutically acceptable salt thereof are PDE 4 and TNF alpha inhibitors. ZAMBON GROUP S.P.A. (IT) 2003-07-08 US claimed
US-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors ZAMBON GROUP S.P.A 2004-03-04 US disclosed
EP-1042300-B1 PHTHALAZINE DERIVATIVES USEFUL AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-02-11 EP disclosed
US-6589951-B1 N right-arrowO derivatives and pharmaceutically acceptable salt thereof are PDE 4 and TNF pharmaceutically acceptable salt thereof are PDE 4 and TNF alpha inhibitors. ZAMBON GROUP S.P.A. (IT) 2003-07-08 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 (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-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors PDE5A, PDE3B, PDE3A PDE4D 22/4885PDE4A 7/4885PDE4B 9/4885

“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.