SCHEMBL46961

SCHEMBL46961

CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)NC(=N)SC(=N)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
DRD4 P21917 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
POLB P06746 1/20 0.38
CASR P41180 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.36
MAPK14 Q16539 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BCL3 P20749 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
SCHEMBL16842362 0.84 DRD4 (0.45) NTRK1DRD4HRH3POLBSMN1; SMN2
SCHEMBL15433035 0.82 DGAT1 (0.45) NTRK1DRD4SMN1; SMN2MAPTHTT
SCHEMBL15432993 0.81 WNT3A (0.49) CASRKDM4EALDH1A1
SCHEMBL46563 0.80 TRPV4 (0.41) CASRMAPK14KDM4E
SCHEMBL15976088 0.78 TRPV4 (0.42) CASRMAPK14KDM4E
SCHEMBL15433052 0.77 MAPK14 (0.38) NTRK1DRD4HRH3POLBMAPT
SCHEMBL46674 0.77 KDM5A (0.43) NTRK1DRD4HRH3CASRSMN1; SMN2
SCHEMBL15432681 0.77 SMN1; SMN2 (0.40) NTRK1DRD4HRH3SMN1; SMN2MAPT
SCHEMBL19595482 0.76 RAF1 (0.42) NTRK1DRD4SMN1; SMN2MAPTHTT
SCHEMBL15433053 0.76 FGFR1 (0.39) DRD4SMN1; SMN2MAPTHTTRAB9A

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 9 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
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 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
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 (1 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 NTRK1 4633/4885DRD4 3873/4885HRH3 1822/4885

“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.