SCHEMBL3731353

SCHEMBL3731353

CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(CN)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MGLL Q99685 2/20 0.44
PLA2G7 Q13093 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FAAH O00519 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL5030322 0.87 KDM1A (0.57) VEGFAEGLN1KDM1AALDH1A1MGLL
SCHEMBL5481602 0.86 VEGFA (0.52) VEGFAEGLN1KDM1AMGLLPLA2G7
SCHEMBL21198803 0.85 VEGFA (0.55) VEGFAEGLN1MGLLPLA2G7ABHD6
SCHEMBL27574604 0.85 VEGFA (0.48) VEGFAEGLN1MGLLPLA2G7ABHD6
SCHEMBL20668704 0.85 VEGFA (0.55) VEGFAEGLN1KDM1AALDH1A1MGLL
SCHEMBL20570945 0.84 VEGFA (0.52) VEGFAEGLN1KDM1AMGLLPLA2G7
SCHEMBL28659906 0.83 KMT2A (0.49) VEGFAEGLN1ALDH1A1IDO1TDO2
SCHEMBL1006605 0.82 VEGFA (0.55) VEGFAEGLN1KDM1AMGLLPLA2G7
SCHEMBL20411278 0.82 VEGFA (0.55) VEGFAEGLN1KDM1AALDH1A1MGLL
SCHEMBL4709951 0.82 FAAH (0.51) ALDH1A1MEN1KMT2AFAAHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 VEGFA 4774/4885EGLN1 3649/4885KDM1A 3163/4885
US-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 VEGFA 4475/4885EGLN1 2456/4885KDM1A 3245/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 VEGFA 4774/4885EGLN1 3649/4885KDM1A 3163/4885

“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.