SCHEMBL4151498

SCHEMBL4151498

O=C(c1ccc(O)cc1O)N1CCC(CCc2cnccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 10/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HSP90AB1 P08238 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
PDK2 Q15119 9/20 0.39
PDK3 Q15120 9/20 0.39
PDK4 Q16654 9/20 0.39
MAPT P10636 1/20 0.38
MGLL Q99685 2/20 0.38
FAAH O00519 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL4152644 0.85 SPR (0.45) PDK1GRIN2BHSP90AB1HSP90AA1PDK2
SCHEMBL4151865 0.82 HTR2A (0.46) PDK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4146438 0.81 GRIN2D (0.47) PDK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4145949 0.78 GRIN2D (0.63) PDK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3792423 0.74 HSP90AA1 (0.51) PDK1HSP90AB1HSP90AA1PDK2PDK3
SCHEMBL4145929 0.74 SLC6A7 (0.55) HSP90AB1HSP90AA1KDM4E
SCHEMBL4151385 0.73 GRIN2D (0.50) PDK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4151901 0.71 SPR (0.62) PDK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4147402 0.71 HSP90AB1 (0.51) PDK1HSP90AB1HSP90AA1PDK2PDK3
SCHEMBL4155107 0.70 HSP90AA1 (0.50) PDK1HSP90AB1HSP90AA1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US claimed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP claimed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 WO claimed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP disclosed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P PDK1 3183/4885GRIN2D 4403/4885GRIN3B 4418/4885

“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.