SCHEMBL5752494

SCHEMBL5752494

CSc1cccc(Oc2ncc(Cl)cc2C(=O)NC2CCC(NC(=O)c3ccccc3OCCO)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.51
PDE4B Q07343 9/20 0.42
KDM5A P29375 1/20 0.40
HTR7 P34969 4/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4D Q08499 1/20 0.40
CRHR1 P34998 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCR2 P41597 1/20 0.39
CCR4 P51679 1/20 0.39
ULK1 O75385 1/20 0.39
ITK Q08881 1/20 0.39

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
SCHEMBL5753289 0.88 PDE4B (0.49) PTGER4PDE4BPDE4APDE4DCYP3A4
SCHEMBL5867991 0.86 PDE4B (0.50) PTGER4PDE4BPDE4APDE4DCYP3A4
SCHEMBL8295968 0.85 PTGER4 (0.57) PTGER4PDE4BPDE4APDE4DCRHR1
Hydrochloric Acid SCHEMBL5791197 0.84 PTGER4 (0.56) PTGER4PDE4BPDE4APDE4DCRHR1
SCHEMBL5753794 0.82 PDE4B (0.57) PDE4BPDE4APDE4D
SCHEMBL5868152 0.82 PDE4B (0.48) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5752938 0.82 PDE4B (0.57) PDE4BPDE4APDE4D
SCHEMBL5868395 0.82 PTGER4 (0.54) PTGER4PDE4BDRD2PDE4APDE4D
SCHEMBL5752013 0.80 PDE4B (0.54) PDE4BHTR7HTR1ADRD2HTR6
SCHEMBL5868121 0.79 PDE4B (0.50) PDE4BPDE4APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056934-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-06 US claimed
EP-1654234-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-10 EP claimed
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-17 US claimed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO claimed
US-7056934-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-06 US disclosed
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-17 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 (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-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PTGER4 122/4885PDE4B 2/4885KDM5A 1630/4885

“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.