SCHEMBL1363801

SCHEMBL1363801

CN1CCN(Cc2cccc(-c3cc(CN(C)C(=O)c4cccc(C(=O)O)c4)ccc3F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.53
APAF1 O14727 1/20 0.50
UBE2N P61088 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
WDR5 P61964 2/20 0.45
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
TNIK Q9UKE5 1/20 0.45
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 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
SCHEMBL1362506 0.90 CHRM3 (0.53) CHRM3APAF1UBE2NWDR5CHRM2
SCHEMBL13761230 0.82 CHRM3 (0.47) CHRM3APAF1UBE2NCHRM2CHRM1
SCHEMBL1364465 0.82 CHRM3 (0.47) CHRM3APAF1UBE2NCHRM2CHRM1
SCHEMBL3402037 0.82 CHRM3 (0.64) CHRM3CHRM2CHRM1
SCHEMBL4193656 0.79 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL13761063 0.77 CHRM3 (0.68) CHRM3CHRM2CHRM1
SCHEMBL1362267 0.77 CHRM3 (0.42) CHRM3APAF1UBE2NMEN1KMT2A
SCHEMBL1363746 0.75 APAF1 (0.41) CHRM3APAF1UBE2NMEN1KMT2A
SCHEMBL31721203 0.75 CYP2D6 (0.73) CHRM3MEN1KMT2ACYP2D6CYP2C9
SCHEMBL3453981 0.75 CYP2D6 (0.73) CHRM3MEN1KMT2ACYP2D6CYP2C9

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-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
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
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
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US 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 5/4885APAF1 4055/4885UBE2N 3806/4885

“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.