SCHEMBL545635

SCHEMBL545635

CC(=O)N1CCN(CCCc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
MAPK10 P53779 3/20 0.41
CYP1A2 P05177 1/20 0.41
DDX3X O00571 1/20 0.41
MAPK8 P45983 2/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
EPHX2 P34913 5/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR4 Q13639 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL401235 0.94 HTR1A (0.48) HTR1AHTR1DHTR1BMAPK10CYP1A2
SCHEMBL3210124 0.93 HTR1A (0.45) HTR1AHTR1DHTR1BMAPK10DDX3X
SCHEMBL401663 0.91 HTR1A (0.42) HTR1AHTR1DHTR1BMAPK10DDX3X
SCHEMBL402570 0.90 HRH2 (0.46) HTR1AHTR1DHTR1BDDX3XALDH1A1
SCHEMBL398292 0.89 MAP4K4 (0.45) MAPK10CYP1A2MAPK8FPR2HRH3
SCHEMBL400040 0.88 MEN1 (0.47) CYP1A2FPR3FPR2EPHX2HRH3
SCHEMBL401052 0.88 HTR1A (0.40) HTR1AHTR1DHTR1BMAPK10DDX3X
SCHEMBL402430 0.87 HTR1A (0.42) HTR1AHTR1DHTR1BMAPK10CYP1A2
SCHEMBL401053 0.87 HRH2 (0.44) HTR1AHTR1DHTR1BDDX3XEPHX2
SCHEMBL399089 0.87 CYP1A2 (0.53) HTR1ACYP1A2EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 US claimed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 US claimed
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 US claimed
EP-2862859-A2 Compounds, compositions and methods Cytokinetics, Inc. (US) 2015-04-22 EP claimed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 US claimed
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 US claimed
US-12264133-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2025-04-01 US disclosed
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 US disclosed
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 US disclosed
US-10975034-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2021-04-13 US disclosed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 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 (10 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 HTR1A 4023/4885HTR1D 4122/4885HTR1B 3659/4885
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate TNNI3, MYLK2, TNNT2 HTR1A 2635/4885HTR1D 2382/4885HTR1B 2497/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885HTR1D 3741/4885HTR1B 3432/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885HTR1D 3741/4885HTR1B 3432/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885HTR1D 3741/4885HTR1B 3432/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885HTR1D 3741/4885HTR1B 3432/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885HTR1D 3741/4885HTR1B 3432/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885HTR1D 3741/4885HTR1B 3432/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885HTR1D 3741/4885HTR1B 3432/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885HTR1D 3741/4885HTR1B 3432/4885

“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.