SCHEMBL16355200

SCHEMBL16355200

COc1ccc(CNC(C)(C)C)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 1/20 0.46
DBH P09172 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
HTR7 P34969 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL12403796 0.86 ALDH1A1 (0.57) ALDH1A1CYP2D6SMN1; SMN2POLBLMNA
SCHEMBL14805818 0.81 GAA (0.51) KDM1AMAOAMAOBALDH1A1CYP2D6
SCHEMBL16355197 0.81 KDM1A (0.49) KDM1AMAOAMAOBALDH1A1CYP2D6
SCHEMBL31527631 0.81 TRPV1 (0.55) ALDH1A1CYP2D6LMNAGAA
SCHEMBL27183421 0.81 TRPV1 (0.55) ALDH1A1CYP2D6LMNAGAA
SCHEMBL6411503 0.80 HTR7 (0.60) KDM1AMAOAMAOBALDH1A1DBH
SCHEMBL14867645 0.80 RPS6KB1 (0.39) ALDH1A1CYP2D6L3MBTL1LMNAMAPT
SCHEMBL15432479 0.79 PTPN7 (0.45) ALDH1A1CYP2D6SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6768221 0.79 HTR7 (0.58) KDM1AMAOAMAOBALDH1A1DBH
SCHEMBL16355196 0.78 ALDH1A1 (0.45) ALDH1A1CYP2D6SMN1; 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.