SCHEMBL4200681

SCHEMBL4200681

COc1ccc(N(Cc2cccnc2)c2ccc(CN3CCCCC3)cc2)cc1OC1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
PDE4B Q07343 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
QPCT Q16769 1/20 0.40
DRD4 P21917 1/20 0.39
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
PTGER2 P43116 3/20 0.38
PKM P14618 1/20 0.38
PTAFR P25105 1/20 0.37
DCTPP1 Q9H773 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
SCHEMBL1156850 0.88 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4204569 0.87 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1157495 0.87 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4193007 0.87 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL4195871 0.86 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4195553 0.85 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL4204893 0.85 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL4188495 0.85 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1157475 0.85 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4206136 0.85 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DQPCT

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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US claimed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US claimed
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 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 (2 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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A CYP3A4 52/4885PDE4B 2/4885PDE4A 1/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A CYP3A4 52/4885PDE4B 2/4885PDE4A 1/4885

“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.