SCHEMBL16355197

SCHEMBL16355197

COc1ccc(CNC(C)(C)C)cc1F

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
DBH P09172 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP17A1 P05093 1/20 0.43

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
SCHEMBL9622102 0.87 KDM1A (0.47) KDM1AMAOAMAOBDBHALDH1A1
SCHEMBL16355196 0.87 ALDH1A1 (0.45) ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL26417559 0.85 MEN1 (0.42) KDM1AMAOAMAOBALDH1A1CYP2D6
SCHEMBL12403796 0.84 ALDH1A1 (0.57) ALDH1A1CYP2D6LMNAHTTSMN1; SMN2
SCHEMBL15432477 0.84 PDE2A (0.48)
SCHEMBL13959115 0.81 PKM (0.47) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL16355200 0.81 KDM1A (0.48) KDM1AMAOAMAOBDBHALDH1A1
SCHEMBL23046575 0.81 KDM1A (0.52) KDM1AMAOAMAOBDBHALDH1A1
SCHEMBL296365 0.81 HTR7 (0.58) KDM1AMAOAMAOBDBHCYP17A1
SCHEMBL15432479 0.81 PTPN7 (0.45) ALDH1A1CYP2D6LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US 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

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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KDM1A 4426/4885MAOA 1994/4885MAOB 1943/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KDM1A 4426/4885MAOA 1994/4885MAOB 1943/4885

“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.