SCHEMBL47073

SCHEMBL47073

O=C(NCCOCCO)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
ADRA1A P35348 1/20 0.38
F10 P00742 2/20 0.38
TRPA1 O75762 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RET P07949 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPK9 P45984 1/20 0.37
CDK8 P49336 1/20 0.37
PKN2 Q16513 1/20 0.37
MAPK14 Q16539 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL10225990 0.87 USP30 (0.41) DRD2DRD3ADRA1AF10MAPT
SCHEMBL46581 0.86 F10 (0.43) F10TRPA1MAPTMEN1CYP1A2
SCHEMBL44799 0.86 PHGDH (0.46) F10TRPA1MAPTMEN1CYP1A2
SCHEMBL46895 0.84 F10 (0.43) F10RXFP1LCKTEKRAF1
SCHEMBL46809 0.84 F10 (0.41) F10TRPA1MAPTMEN1CYP1A2
SCHEMBL47058 0.84 F10 (0.42) F10TRPA1MAPTMEN1CYP1A2
SCHEMBL10226260 0.84 F10 (0.41) F10TRPA1MAPTMEN1CYP1A2
SCHEMBL15444420 0.83 F10 (0.41) F10RXFP1MAPK9MAPK14HRH3
SCHEMBL46582 0.82 SLC34A2 (0.38) F10TRPA1MAPTMEN1CYP1A2
SCHEMBL10226211 0.81 TRPA1 (0.40) F10TRPA1MAPTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
EP-2590655-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2015-06-24 EP disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
WO-2012006473-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO 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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 DRD2 4111/4885DRD3 3302/4885ADRA1A 2440/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 DRD2 4211/4885DRD3 3869/4885ADRA1A 3665/4885

“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.