SCHEMBL398416

SCHEMBL398416

CCS(=O)(=O)N1CCN(Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
FAAH O00519 8/20 0.54
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.50
NAMPT P43490 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
NPC1 O15118 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL402629 0.89 HTR1A (0.54) HTR1ADRD2FAAHKDM4EALDH1A1
SCHEMBL401653 0.88 CYP1A2 (0.50) HTR1ADRD2FAAHKDM4EALDH1A1
SCHEMBL402086 0.88 ACKR3 (0.51) HTR1ADRD2FAAHKDM4EALDH1A1
SCHEMBL27684493 0.87 KDM4E (0.49) FAAHKDM4EALDH1A1TSHRCYP2C9
SCHEMBL402683 0.86 FAAH (0.52) HTR1ADRD2FAAHKDM4EALDH1A1
SCHEMBL401844 0.84 MEN1 (0.52) HTR1ADRD2FAAHKDM4EALDH1A1
SCHEMBL3214823 0.84 FAAH (0.62) HTR1ADRD2FAAHKDM4EALDH1A1
SCHEMBL400368 0.83 FAAH (0.59) HTR1ADRD2FAAHALDH1A1HTT
SCHEMBL400640 0.83 KDM4E (0.51) HTR1ADRD2FAAHKDM4EALDH1A1
SCHEMBL402811 0.81 NPC1 (0.45) HTR1ADRD2FAAHKDM4EALDH1A1

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 49 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 4023/4885DRD2 4660/4885FAAH 4811/4885
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 2635/4885DRD2 4395/4885FAAH 4661/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885FAAH 4697/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885FAAH 4697/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885FAAH 4697/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885FAAH 4697/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885FAAH 4697/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885FAAH 4697/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885FAAH 4697/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885FAAH 4697/4885

“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.