SCHEMBL2560993

SCHEMBL2560993

C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.44
IL6ST P40189 1/20 0.42
CACNA1G O43497 1/20 0.42
IDH1 O75874 5/20 0.41
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
NAAA Q02083 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.38
GRM7 Q14831 1/20 0.38

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
SCHEMBL2560997 1.00 PPARA (0.44) PPARAIL6STCACNA1GIDH1FAAH
SCHEMBL12287709 1.00 PPARA (0.44) PPARAIL6STCACNA1GIDH1FAAH
SCHEMBL19923283 1.00 PPARA (0.44) PPARAIL6STCACNA1GIDH1FAAH
SCHEMBL2206996 0.92 PPARA (0.47) PPARAIL6STIDH1FAAHLTB4R
SCHEMBL7406075 0.92 PPARA (0.47) PPARAIL6STIDH1FAAHLTB4R
SCHEMBL3856583 0.89 PPARA (0.44) PPARAIL6STIDH1FAAHPOLB
SCHEMBL5878038 0.89 PPARA (0.44) PPARAIL6STIDH1FAAHPOLB
SCHEMBL21435764 0.89 PPARA (0.44) PPARAIL6STIDH1FAAHPOLB
SCHEMBL21435819 0.89 PPARA (0.44) PPARAIL6STIDH1FAAHPOLB
SCHEMBL3856585 0.89 PPARA (0.44) PPARAIL6STIDH1FAAHPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2023-01-26 US disclosed
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2023-01-26 US disclosed
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-11 US disclosed
US-11369565-B2 Amino-pyrimidine skeletal muscle modulators CYTOKINETICS, INC. (US) 2022-06-28 US disclosed
US-11369565-B2 Amino-pyrimidine skeletal muscle modulators CYTOKINETICS, INC. (US) 2022-06-28 US disclosed
CN-107266419-B Certain amino-pyridazines, compositions thereof, and methods of use thereof 赛特凯恩蒂克公司 2021-05-11 CN disclosed
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2021-02-18 US disclosed
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2021-02-18 US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 US disclosed
EP-2563365-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE Cytokinetics, Inc. (US) 2013-03-06 EP disclosed
EP-2560653-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2013-02-27 EP disclosed
EP-2560488-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2013-02-27 EP disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
WO-2011133888-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133920-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 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 (6 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-11369565-B2 Amino-pyrimidine skeletal muscle modulators MUSK, PYGM, TNNC1 PPARA 1296/4885IL6ST 1126/4885CACNA1G 2964/4885
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions GRM7, GRM2, GRM1 PPARA 1031/4885IL6ST 465/4885CACNA1G 581/4885
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS MUSK, PYGM, TNNC1 PPARA 1679/4885IL6ST 831/4885CACNA1G 3150/4885
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS MUSK, PYGM, TNNC1 PPARA 1296/4885IL6ST 1126/4885CACNA1G 2964/4885
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX PPARA 3281/4885IL6ST 2395/4885CACNA1G 2045/4885
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX PPARA 3281/4885IL6ST 2395/4885CACNA1G 2045/4885

“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.