SCHEMBL401647

SCHEMBL401647

CN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(F)cc3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.45
KCNH2 Q12809 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CCR3 P51677 6/20 0.44
CCR5 P51681 1/20 0.43
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
NPY2R P49146 1/20 0.40
SSTR5 P35346 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
SCHEMBL398779 0.91 ACKR3 (0.42) ACKR3KCNH2GPR119CCR3UBE2M
SCHEMBL402896 0.88 CCR3 (0.49) ACKR3KCNH2GPR119CCR3CCR5
SCHEMBL401228 0.87 CYP1A2 (0.48) CCR3UBE2MDCUN1D1KMT2AALDH1A1
SCHEMBL402051 0.87 CCR3 (0.47) ACKR3KCNH2GPR119CCR3CCR5
SCHEMBL19349017 0.82 CCR3 (0.41) ACKR3KCNH2GPR119CCR3CCR5
SCHEMBL401418 0.81 RECQL (0.44) ACKR3KCNH2GPR119CCR3CCR5
SCHEMBL398787 0.80 RECQL (0.46) ACKR3KCNH2GPR119CCR3CCR5
SCHEMBL398804 0.80 ACKR3 (0.44) ACKR3KCNH2GPR119CCR3CCR5
SCHEMBL402953 0.79 MAP4K4 (0.44) ACKR3KCNH2GPR119CCR3CCR5
SCHEMBL401864 0.77 MEN1 (0.46) ACKR3CCR3RECQLKMT2AMEN1

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 40 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
US-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 US claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US 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-10385023-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2019-08-20 US disclosed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070208000-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-09-06 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
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 (12 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 ACKR3 4779/4885KCNH2 1224/4885GPR119 2747/4885
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 ACKR3 4522/4885KCNH2 1453/4885GPR119 4082/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 ACKR3 4779/4885KCNH2 1224/4885GPR119 2747/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885KCNH2 1624/4885GPR119 3286/4885

“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.