SCHEMBL5745862

SCHEMBL5745862

CSc1ccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(C)=O)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.51
PDE4A P27815 1/20 0.51
PDE4D Q08499 1/20 0.51
HPGDS O60760 1/20 0.43
SSTR4 P31391 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5747354 0.93 PDE4B (0.51) PDE4BPDE4APDE4DHPGDSSSTR4
SCHEMBL5745282 0.91 PDE4B (0.53) PDE4BPDE4APDE4DHPGDSCYP3A4
SCHEMBL5744700 0.89 PDE4B (0.53) PDE4BPDE4APDE4DHPGDSCYP3A4
SCHEMBL5748482 0.87 PDE4B (0.52) PDE4BPDE4APDE4DHPGDS
SCHEMBL5747017 0.84 PDE4B (0.50) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5746330 0.82 PDE4B (0.49) PDE4BPDE4APDE4DHPGDSCYP3A4
SCHEMBL5744020 0.81 PDE4B (0.50) PDE4BPDE4APDE4DHPGDS
SCHEMBL5840085 0.81 PDE4B (0.56) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5840082 0.81 PDE4B (0.56) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5747094 0.80 PDE4B (0.47) PDE4BPDE4APDE4DHPGDSSSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US claimed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US claimed
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
EP-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 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-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4D 3/4885
US-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 PDE4B 4304/4885PDE4A 4576/4885PDE4D 4547/4885

“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.