SCHEMBL46570

SCHEMBL46570

CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
LCK P06239 2/20 0.38
MAPK14 Q16539 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 2/20 0.37
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAF1 P04049 4/20 0.36
BRAF P15056 2/20 0.36
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
DRD4 P21917 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
Trifluoroacetic Acid SCHEMBL15421125 0.98 TRPV4 (0.39) TRPV4KDM4EGAAHTR1ADRD2
SCHEMBL15433053 0.91 FGFR1 (0.39) KDM4ELMNASMN1; SMN2DRD4MAPT
SCHEMBL18098443 0.87 DRD4 (0.37) HTR1ADRD2HTR2AHTR2CDRD3
Trifluoroacetic Acid SCHEMBL15421124 0.83 HTR1A (0.36) TRPV4KDM4EHTR1ADRD2HTR2A
SCHEMBL10099681 0.82 TRPV4 (0.42) TRPV4KDM4EGAALCKMAPK14
SCHEMBL15444404 0.81 TRPV4 (0.43) TRPV4KDM4EGAALCKMAPK14
SCHEMBL16842362 0.81 DRD4 (0.45) KDM4EGAALMNAPOLBSMN1; SMN2
SCHEMBL15444486 0.80 MAPT (0.41) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL46894 0.80 LCK (0.51) TRPV4LCKMAPK14RXFP1RAF1
SCHEMBL46861 0.79 LCK (0.41) TRPV4KDM4EGAAHTR2ALCK

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
EP-2590510-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-28 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9278102-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-08 US disclosed
US-20150164905-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8815908-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-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006477-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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 TRPV4 440/4885KDM4E 4411/4885GAA 393/4885
US-20150164905-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC10A2, SLC34A1 TRPV4 524/4885KDM4E 3591/4885GAA 571/4885

“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.