SCHEMBL1363941

SCHEMBL1363941

CNCc1ccc(F)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.38
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PARP1 P09874 2/20 0.36
FAAH O00519 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
NCF1 P14598 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL17176781 0.84 LOXL2 (0.39) KDM4ELOXL2MAPTCYP3A4MEN1
SCHEMBL5398528 0.81 LOXL2 (0.43) KDM4ELOXL2MAPTCYP3A4HTR7
SCHEMBL1585868 0.81 KDM1A (0.44) KDM4ELOXL2MAPTCYP3A4HTR7
SCHEMBL6849403 0.80 KDM4E (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL1003082 0.79 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL6077722 0.79 MAPT (0.41) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
Hydrochloric Acid SCHEMBL5385071 0.79 MAPT (0.46) KDM4ELOXL2MAPTCYP3A4HTR7
SCHEMBL4545275 0.78 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL6915880 0.78 HTR7 (0.46) KDM4ELOXL2MAPTCYP3A4HTR7
SCHEMBL6412456 0.78 MMP13 (0.50) KDM4ELOXL2MAPTCYP3A4HTR7

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 39 patents — showing the first 20. 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-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
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-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 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
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
CN-101990401-A Dual pharmacophores-PDE 4-muscarinic antagonists GLAXO GROUP LTD 2011-03-23 CN disclosed
WO-2009100169-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
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
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
EP-1112998-B1 AMINE DERIVATIVES POLA CHEM IND INC (JP) 2004-12-08 EP disclosed
US-6586633-B1 Antifungal agents POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-07-01 US disclosed
EP-1112998-A1 AMINE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-07-04 EP 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 (2 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-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.