SCHEMBL6585981

SCHEMBL6585981

COc1ccc2c(Cl)nncc2c1OCCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.70
PDE4A P27815 9/20 0.70
PDE4B Q07343 9/20 0.70
PDE4C Q08493 9/20 0.70
CNR2 P34972 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL6586114 0.84 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL6586601 0.83 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586037 0.76 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCNR2
SCHEMBL6587107 0.76 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6590136 0.68 PDE4D (0.98) PDE4DPDE4APDE4BPDE4C
SCHEMBL6583914 0.68 PDE4A (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL6592499 0.68 PDE4D (0.77) PDE4DPDE4APDE4BPDE4C
SCHEMBL7354018 0.67 BCHE (0.54) BCHE
SCHEMBL1541828 0.67 SMN1; SMN2 (0.47) PDE4DL3MBTL1
SCHEMBL19612694 0.66 GPR84 (0.53) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.