SCHEMBL3399142

SCHEMBL3399142

C[C@H]1CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.42
LPL P06858 1/20 0.42
MGLL Q99685 7/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 2/20 0.36
CHRM4 P08173 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
SCHEMBL3399375 1.00 LIPG (0.42) LIPGLPLMGLLPTGDR2OPRM1
SCHEMBL25425656 0.87 LIPG (0.40) LIPGLPLOPRM1OPRK1MEN1
SCHEMBL1363047 0.86 USP30 (0.40) LIPGLPLMGLLPTGDR2CCR1
SCHEMBL8020161 0.86 USP30 (0.40) LIPGLPLMGLLPTGDR2CCR1
SCHEMBL12062822 0.86 LIPG (0.38) LIPGLPLMGLLPTGDR2OPRM1
SCHEMBL1363050 0.85 LIPG (0.39) LIPGLPLOPRM1OPRK1MEN1
SCHEMBL3045151 0.82 LIPG (0.47) LIPGLPLMEN1KMT2A
SCHEMBL4055766 0.80 KDM4E (0.52) MGLLMEN1KMT2A
SCHEMBL14645770 0.78 MGLL (0.56) MGLLPTGDR2CCR1CHRM4
SCHEMBL722120 0.76 LPL (0.52) LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100167-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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100166-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 (3 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A LIPG 2346/4885LPL 3198/4885MGLL 2465/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B LIPG 1445/4885LPL 1668/4885MGLL 1471/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 LIPG 2411/4885LPL 2974/4885MGLL 2412/4885

“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.