SCHEMBL1010002

SCHEMBL1010002

COc1cccc(CN(Cc2c(Cl)cncc2Cl)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.49
PDE4D Q08499 2/20 0.43
CCR5 P51681 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CETP P11597 1/20 0.39
ABCB1 P08183 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
CALM1 P0DP23 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37

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
SCHEMBL1009113 0.90 PDE4D (0.45) QPCTPDE4DPDE4APDE4BPDE4C
SCHEMBL1008443 0.89 PDE4D (0.47) PDE4DKMT2AMEN1
SCHEMBL1010197 0.89 PDE4D (0.44) QPCTPDE4DPDE4APDE4BPDE4C
SCHEMBL1008748 0.87 PDE4D (0.45) QPCTPDE4DKMT2AMEN1MAPT
SCHEMBL1010015 0.86 CCR5 (0.45) QPCTPDE4DCCR5
SCHEMBL1008929 0.85 PDE4D (0.44) QPCTPDE4DKMT2AMEN1
SCHEMBL1008845 0.84 PDE4D (0.44) QPCTPDE4DCETPKMT2AMEN1
SCHEMBL1009473 0.83 PDE4D (0.42) PDE4DKMT2AMEN1PDE4APDE4B
SCHEMBL1010050 0.83 NR3C1 (0.50) QPCTPDE4DKMT2AMEN1MAPT
SCHEMBL1011391 0.82 L3MBTL1 (0.44) PDE4DHTR2AHTR2CHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268632-B1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMA SPA (IT) 2012-08-08 EP claimed
EP-2268632-A1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2011-01-05 EP claimed
US-7820698-B2 Phosphodiesterase-4 inhibitors belonging to the tertiary amine class CHIESI FARMACEUTICI S.P.A. (IT) 2010-10-26 US claimed
WO-2009127320-A1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-10-22 WO claimed
EP-2110375-A1 Phosphodiesterase-4 inhibitors belonging to the tertiary amine class CHIESI FARMACEUTICI S.p.A. (IT) 2009-10-21 EP claimed
US-20090258905-A1 PHOSPHODIESTERASE-4 INHIBITORS BELONGING TO THE TERTIARY AMINE CLASS CHIESI FARMACEUTICI S.P.A. (IT) 2009-10-15 US claimed
EP-2268632-B1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMA SPA (IT) 2012-08-08 EP disclosed
US-7820698-B2 Phosphodiesterase-4 inhibitors belonging to the tertiary amine class CHIESI FARMACEUTICI S.P.A. (IT) 2010-10-26 US disclosed
EP-2110375-A1 Phosphodiesterase-4 inhibitors belonging to the tertiary amine class CHIESI FARMACEUTICI S.p.A. (IT) 2009-10-21 EP disclosed
US-20090258905-A1 PHOSPHODIESTERASE-4 INHIBITORS BELONGING TO THE TERTIARY AMINE CLASS CHIESI FARMACEUTICI S.P.A. (IT) 2009-10-15 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-20090258905-A1 PHOSPHODIESTERASE-4 INHIBITORS BELONGING TO THE TERTIARY AMINE CLASS PDE4A, PDE4B, PDE2A QPCT 1658/4885PDE4D 9/4885CCR5 3350/4885

“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.