SCHEMBL3201033

SCHEMBL3201033

COC(=O)c1c(F)ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47
▸ MGLL Q99685 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ GPR119 Q8TDV5 4/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ MTNR1B P49286 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ SETD7 Q8WTS6 1/20 0.42
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ADAM17 P78536 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
SCHEMBL14847422 0.90 MGLL (0.46) VEGFAEGLN1MGLLALDH1A1KDM4E
SCHEMBL3189475 0.85 MTNR1B (0.46) MGLLALDH1A1KDM4EPOLBMTNR1B
SCHEMBL23696886 0.82 ALDH1A1 (0.51) VEGFAEGLN1MGLLALDH1A1KDM4E
SCHEMBL30097974 0.82 ALDH1A1 (0.51) VEGFAEGLN1MGLLALDH1A1KDM4E
SCHEMBL13486407 0.82 VEGFA (0.46) VEGFAEGLN1MGLLALDH1A1KDM4E
SCHEMBL16198768 0.81 BDKRB1 (0.46) ALDH1A1KDM4EMTNR1B
SCHEMBL23301626 0.79 VEGFA (0.45) VEGFAEGLN1ALDH1A1KDM4EPOLB
SCHEMBL20971874 0.78 VEGFA (0.57) VEGFAEGLN1MGLLALDH1A1KDM4E
SCHEMBL28456381 0.78 VEGFA (0.47) VEGFAEGLN1MGLLALDH1A1KDM4E
SCHEMBL30038645 0.78 VEGFA (0.47) VEGFAEGLN1MGLLALDH1A1KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 — — EP disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 — — EP disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 VEGFA 4475/4885EGLN1 2456/4885MGLL 3999/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 VEGFA 4475/4885EGLN1 2456/4885MGLL 3999/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 VEGFA 4475/4885EGLN1 2456/4885MGLL 3999/4885

“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.

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