SCHEMBL3198483

SCHEMBL3198483

O=C(Nc1ccnnc1)Nc1cc(CN2CCN(C(=O)O)CC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 16/20 0.45
CCR3 P51677 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 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
SCHEMBL402091 0.90 FAAH (0.43) FAAHCYP2D6NPC1TP53RAB9A
SCHEMBL3203666 0.87 FAAH (0.59) FAAHALDH1A1CYP2D6TP53
SCHEMBL3201395 0.86 FAAH (0.47) FAAHCCR3ALDH1A1CYP2D6NPC1
SCHEMBL3204614 0.84 FAAH (0.45) FAAHCCR3NPC1TP53POLB
SCHEMBL3214089 0.84 CHRNA7 (0.46) FAAHCCR3NPC1TP53POLB
SCHEMBL3214080 0.83 PRKAA2 (0.46) FAAHCCR3NPC1TP53POLB
SCHEMBL3211943 0.82 RAB9A (0.49) FAAHNPC1TP53RAB9A
SCHEMBL3198406 0.82 CHEK1 (0.46) FAAHCCR3
SCHEMBL3200392 0.79 FAAH (0.44) FAAHCCR3ALDH1A1
SCHEMBL3214359 0.78 FAAH (0.49) FAAHCCR3ALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 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-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 US disclosed
US-10035770-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2018-07-31 US disclosed
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2017-09-21 US disclosed
US-9150564-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2015-10-06 US disclosed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 US disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US disclosed
US-20090099198-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-04-16 US disclosed
US-7507735-B2 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, INC. (US) 2009-03-24 US disclosed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US disclosed
US-20070208000-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-09-06 US disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US 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 (17 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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 FAAH 4384/4885CCR3 4808/4885ALDH1A1 3361/4885
US-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885CCR3 4640/4885ALDH1A1 3619/4885
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 FAAH 4661/4885CCR3 4670/4885ALDH1A1 4250/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885CCR3 4640/4885ALDH1A1 3619/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 FAAH 3155/4885CCR3 3421/4885ALDH1A1 4108/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885CCR3 4640/4885ALDH1A1 3619/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CCR3 4522/4885ALDH1A1 4381/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 FAAH 3155/4885CCR3 3421/4885ALDH1A1 4108/4885

“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.