SCHEMBL4206136

SCHEMBL4206136

COc1ccc(N(Cc2cccnc2)c2ccc(N3CCNCC3)cc2)cc1OC1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.41
PDE4A P27815 3/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
QPCT Q16769 1/20 0.37
PTAFR P25105 2/20 0.37
MAPKAPK2 P49137 3/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
HTR6 P50406 1/20 0.36
TGFBR1 P36897 2/20 0.36
ACVR1 Q04771 2/20 0.36

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
SCHEMBL4193007 0.93 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4204893 0.91 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1156850 0.87 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1157495 0.86 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4195871 0.86 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4204569 0.85 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4195553 0.85 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4200681 0.85 CYP3A4 (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4192785 0.84 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4188495 0.84 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DKDM4E

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 PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885

“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.