SCHEMBL46856

SCHEMBL46856

COCCNC(=O)N1CCN(CCN(C)C(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.47
SMYD2 Q9NRG4 2/20 0.39
GPR52 Q9Y2T5 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
NPC1 O15118 1/20 0.37
BRAF P15056 4/20 0.37
ROCK2 O75116 3/20 0.37
RAF1 P04049 2/20 0.36
ROCK1 Q13464 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL47011 0.93 SLC34A2 (0.47) SLC34A2SMYD2BRAFROCK2RAF1
SCHEMBL40739 0.92 SLC34A2 (0.46) SLC34A2SMYD2GPR52NPSR1DRD2
SCHEMBL46679 0.91 SLC34A2 (0.47) SLC34A2SMYD2BRAFROCK2RAF1
SCHEMBL19580006 0.91 SLC34A2 (0.49) SLC34A2SMYD2BRAFROCK2RAF1
SCHEMBL46754 0.91 SLC34A2 (0.51) SLC34A2SMYD2GPR52NPSR1BRAF
SCHEMBL46766 0.91 SLC34A2 (0.49) SLC34A2SMYD2BRAFROCK2RAF1
SCHEMBL6001620 0.90 SLC34A2 (0.53) SLC34A2GPR52BRAFROCK2RAF1
SCHEMBL40297 0.90 SLC34A2 (0.47) SLC34A2SMYD2NPSR1BRAFROCK2
SCHEMBL10290803 0.89 SLC34A2 (0.41) SLC34A2SMYD2GPR52NPSR1DRD2
SCHEMBL6001362 0.89 SLC34A2 (0.48) SLC34A2BRAFRAF1HTR2AKDM4E

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-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 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 (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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885SMYD2 4600/4885GPR52 2705/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885SMYD2 4600/4885GPR52 2705/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885SMYD2 4638/4885GPR52 3396/4885

“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.