SCHEMBL5513669

SCHEMBL5513669

COc1ccc(OC[C@H]2CC[C@@H](CNC(=O)c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CXCR3 P49682 1/20 0.52
MMP13 P45452 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL5513674 1.00 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL8284597 0.89 HPGD (0.56) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL14469712 0.88 ALDH1A1 (0.53) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL8284724 0.88 ALDH1A1 (0.53) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL8285679 0.88 PARP15 (0.50) MMP13PARP15PARP10PARP2NR1H4
SCHEMBL14451499 0.88 PARP15 (0.50) MMP13PARP15PARP10PARP2NR1H4
SCHEMBL5523321 0.88 HDAC3 (0.51) CXCR3PARP15PARP10PARP2NR1H4
SCHEMBL5521806 0.88 HDAC3 (0.51) CXCR3PARP15PARP10PARP2NR1H4
SCHEMBL5521812 0.88 HDAC3 (0.51) CXCR3PARP15PARP10PARP2NR1H4
SCHEMBL5516045 0.88 CXCR3 (0.60) PDE4APDE4BPDE4CPDE4DHPGD

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-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US claimed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A PDE4A 3423/4885PDE4B 3536/4885PDE4C 3929/4885

“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.