SCHEMBL4189964

SCHEMBL4189964

O=C(NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1ccccc1OCCO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
PDE4B Q07343 5/20 0.41
HTR7 P34969 3/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
CNR1 P21554 5/20 0.39
CNR2 P34972 5/20 0.39
ULK1 O75385 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
SCHEMBL13929015 1.00 KDM5A (0.41) KDM5APDE4BHTR7HTR1ADRD2
SCHEMBL4193962 0.96 PDE4B (0.40) KDM5APDE4BHTR7HTR1ADRD2
SCHEMBL13929021 0.96 PDE4B (0.40) KDM5APDE4BHTR7HTR1ADRD2
SCHEMBL4185131 0.94 PDE4B (0.41) PDE4BHTR7HTR1ADRD2HTR6
SCHEMBL4184529 0.90 KDM5A (0.43) KDM5APDE4BHTR7HTR1ADRD2
SCHEMBL13929020 0.90 KDM5A (0.43) KDM5APDE4BHTR7HTR1ADRD2
SCHEMBL4191504 0.89 PDE4B (0.42) PDE4BPDE4APDE4DCNR1CNR2
SCHEMBL4192004 0.89 PDE4B (0.41) PDE4BPDE4APDE4DALDH1A1CNR1
SCHEMBL4191409 0.89 PDE4B (0.50) PDE4BPDE4APDE4DCNR1CNR2
SCHEMBL13929017 0.89 PDE4B (0.50) PDE4BPDE4APDE4DALDH1A1CNR1

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-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US claimed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US claimed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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-20050020611-A1 Compounds NQO1, NAMPT, NNT KDM5A 2137/4885PDE4B 719/4885HTR7 3852/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT KDM5A 2137/4885PDE4B 719/4885HTR7 3852/4885

“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.