SCHEMBL3400992

SCHEMBL3400992

C[C@H]1CN(Cc2cc(-c3cccc(CNC(=O)c4cccc(C=O)c4)c3)ccc2F)CCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.50
CHRM2 P08172 6/20 0.47
CHRM1 P11229 6/20 0.47
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1364552 0.90 CHRM3 (0.47) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1364554 0.81 CHRM3 (0.48) CHRM3
SCHEMBL4049340 0.76 MGLL (0.43) CHRM3
SCHEMBL4218341 0.74 CHRM3 (0.67) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4049044 0.74 KCNH2 (0.48) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4215941 0.74 CHRM3 (0.79) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4211535 0.74 CHRM3 (0.65) CHRM3CHRM2CHRM1KCNH2
SCHEMBL3402039 0.72 CHRM3 (0.56) CHRM3CHRM2CHRM1KCNH2
SCHEMBL3399242 0.72 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2
Trifluoroacetic Acid SCHEMBL4216002 0.71 CHRM3 (0.74) CHRM3CHRM2CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 CHRM3 5/4885CHRM2 4/4885CHRM1 10/4885

“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.