SCHEMBL1362285

SCHEMBL1362285

CC(C)(C)N(Cc1ccc(F)c(Br)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RIPK1 Q13546 3/20 0.42
KDM4E B2RXH2 3/20 0.38
FAAH O00519 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 2/20 0.37
MEP1B Q16820 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL2454761 0.82 MEN1 (0.42) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL26932241 0.82 MEN1 (0.47) NPSR1MEN1KMT2ALMNAALDH1A1
SCHEMBL1684422 0.79 MEN1 (0.55) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1363869 0.79 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL2457267 0.78 LMNA (0.44) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL2518702 0.78 RIPK1 (0.40) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL23832906 0.76 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL2452887 0.76 ALDH1A1 (0.39) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL23116262 0.76 MEN1 (0.51) NPSR1MEN1KMT2ALMNAALDH1A1
SCHEMBL67173 0.76 RIPK1 (0.56) MEN1KMT2ALMNAALDH1A1HTT

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 8 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-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-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
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 CYP1A2 129/4885CYP2D6 194/4885CYP2C9 1009/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B CYP1A2 114/4885CYP2D6 178/4885CYP2C9 503/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 CYP1A2 267/4885CYP2D6 333/4885CYP2C9 1090/4885

“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.