SCHEMBL5778510

SCHEMBL5778510

CCSc1cccc(Oc2ncc(F)cc2C(=O)NCC2(O)CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR2 P34972 1/20 0.42
PTGER4 P35408 2/20 0.41

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
SCHEMBL8312606 0.81 PDE4B (0.51) CNR2
SCHEMBL5749019 0.79 PTGER4 (0.44) CYP1A2CYP2C9CYP2C19PTGER4
SCHEMBL5778513 0.79 PTGER4 (0.43) PTGER4
SCHEMBL5840163 0.78 CNR1 (0.44)
SCHEMBL5839215 0.78 CNR1 (0.44)
SCHEMBL5750409 0.77 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19
SCHEMBL5750463 0.76 PTGER4 (0.44) CNR2PTGER4
SCHEMBL5839702 0.75 PDE4B (0.50) CYP3A4
SCHEMBL5839698 0.75 PDE4B (0.50) CYP3A4
SCHEMBL5779293 0.73 PDE4B (0.49) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A P2RX7 832/4885CYP1A2 555/4885CYP3A4 131/4885

“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.