SCHEMBL40396

SCHEMBL40396

CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.51
DRD4 P21917 1/20 0.51
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMO O15229 1/20 0.49
KDM5A P29375 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TACR1 P25103 1/20 0.46
TACR3 P29371 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BRD4 O60885 1/20 0.44
TSHR P16473 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
SCHEMBL40051 0.89 DRD4 (0.53) CASRDRD4KMT2AMAPTALDH1A1
SCHEMBL12505784 0.89 DRD4 (0.50) CASRDRD4KMT2AMAPTALDH1A1
SCHEMBL28037481 0.88 ALDH1A1 (0.58) KMT2AMAPTALDH1A1TACR1TACR3
SCHEMBL28282246 0.87 DRD4 (0.53) DRD4KMT2AMEN1CYP2C9
SCHEMBL40023 0.87 ALDH1A1 (0.56) CASRDRD4KMT2AALDH1A1L3MBTL1
SCHEMBL16691265 0.84 PIK3CD (0.43) CASRDRD4KMT2AMAPTALDH1A1
SCHEMBL40223 0.82 CASR (0.67) CASRALDH1A1LMNATSHR
SCHEMBL2362568 0.81 ALDH1A1 (0.56) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL17529341 0.79 TACR1 (0.43) CASRKMT2AMAPTALDH1A1TACR1
SCHEMBL16691260 0.79 GAA (0.54) CASRKMT2AMAPTALDH1A1KMO

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316987-B Benzamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-11-17 CN disclosed
CN-107082773-B Sulfate of intestinal 2B type sodium phosphate cotransporter inhibitor and crystal form thereof 江苏恒瑞医药股份有限公司 2020-07-28 CN disclosed
CN-105658635-B Thieno naphthenic base or thieno heterocycle analog derivative, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2019-03-08 CN disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
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
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
CN-106316987-A Benzamide derivative as well as preparation method and medicinal application thereof 江苏恒瑞医药股份有限公司 2017-01-11 CN disclosed
EP-2590510-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-28 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006473-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO 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
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
WO-2012006477-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006474-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006474-A2 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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CASR 411/4885DRD4 3679/4885KMT2A 4695/4885

“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.