SCHEMBL5840163

SCHEMBL5840163

CCSc1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CCCC[C@H]2O)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.44
PDE4B Q07343 11/20 0.44
PDE4A P27815 1/20 0.44
PDE4D Q08499 1/20 0.44
CHRM1 P11229 4/20 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
SCHEMBL5839215 1.00 CNR1 (0.44) CNR1PDE4BPDE4APDE4DCHRM1
SCHEMBL5822871 0.90 CNR1 (0.46) CNR1PDE4BPDE4APDE4DCHRM1
SCHEMBL5779126 0.90 CNR1 (0.46) CNR1PDE4BPDE4APDE4DCHRM1
SCHEMBL5822867 0.90 CNR1 (0.46) CNR1PDE4BPDE4APDE4DCHRM1
SCHEMBL5749866 0.90 CNR1 (0.46) CNR1PDE4BPDE4APDE4DCHRM1
SCHEMBL5782685 0.90 CNR1 (0.46) CNR1PDE4BPDE4APDE4DCHRM1
SCHEMBL8312606 0.89 PDE4B (0.51) CNR1PDE4BPDE4APDE4D
SCHEMBL5839360 0.82 CNR1 (0.45) CNR1PDE4BPDE4APDE4DCHRM1
SCHEMBL5778513 0.82 PTGER4 (0.43) PDE4BPDE4APDE4D
SCHEMBL5839702 0.81 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 2 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
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A CNR1 29/4885PDE4B 8/4885PDE4A 6/4885

“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.