SCHEMBL1362512

SCHEMBL1362512

Cc1ccc(Br)cc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PYCR1 P32322 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
RIPK1 Q13546 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL17372745 0.89 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL2516419 0.86 ALDH1A1 (0.43) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL2518702 0.86 RIPK1 (0.40) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL1362996 0.84 POLB (0.51) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL1818639 0.80 PTGDR2 (0.39) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL1684422 0.78 MEN1 (0.55) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL67173 0.75 RIPK1 (0.56) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL5514821 0.74 KMT2A (0.48) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL1364356 0.74 LMNA (0.42) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL18497249 0.74 MEN1 (0.39) LMNAMEN1KMT2AALDH1A1HTT

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 16 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
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 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
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US 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 LMNA 4824/4885MEN1 4113/4885KMT2A 2211/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B LMNA 4462/4885MEN1 3034/4885KMT2A 1064/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 LMNA 4754/4885MEN1 3908/4885KMT2A 1791/4885

“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.