SCHEMBL1363746

SCHEMBL1363746

C[C@H]1CN(Cc2ccc(-c3cc(CN(C)C(=O)c4cccc(C(=O)O)c4)ccc3F)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.41
UBE2N P61088 1/20 0.41
CHRM3 P20309 10/20 0.40
MGLL Q99685 3/20 0.38
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CCR1 P32246 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SETD7 Q8WTS6 1/20 0.36

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
SCHEMBL13761230 0.94 CHRM3 (0.47) APAF1UBE2NCHRM3CHRM2CHRM1
SCHEMBL1364465 0.94 CHRM3 (0.47) APAF1UBE2NCHRM3CHRM2CHRM1
SCHEMBL1362265 0.87 CHRM3 (0.48) CHRM3CHRM2CHRM1
SCHEMBL1365593 0.80 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL4193656 0.79 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL13761160 0.76 CHRM3 (0.46) CHRM3CHRM2CHRM1
SCHEMBL1365233 0.76 CHRM3 (0.46) CHRM3CHRM2CHRM1
SCHEMBL3555593 0.76 MLNR (0.53) MGLLCCR1
SCHEMBL1363801 0.75 CHRM3 (0.53) APAF1UBE2NCHRM3CHRM2CHRM1
SCHEMBL13954897 0.73 CCR1 (0.59) CCR1

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-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
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 APAF1 4055/4885UBE2N 3806/4885CHRM3 5/4885

“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.