SCHEMBL6026329

SCHEMBL6026329

CCC(c1nc2ccccc2c(=O)n1CCN1CCOCC1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
CACNA2D1 P54289 4/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 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
SCHEMBL6025807 0.85 CACNA2D1 (0.51) HTTCACNA2D1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6026148 0.81 CACNA2D1 (0.72) HTTCACNA2D1GAAL3MBTL1ALDH1A1
SCHEMBL6081986 0.75 HTT (0.52) HTTCACNA2D1GAAALDH1A1SMN1; SMN2
SCHEMBL6026147 0.73 CACNA2D1 (0.56) HTTCACNA2D1GAAALDH1A1SMN1; SMN2
SCHEMBL7985622 0.71 GAA (0.50) HTTGAAL3MBTL1ALDH1A1TSHR
SCHEMBL6082444 0.71 CACNA2D1 (0.55) HTTCACNA2D1ALDH1A1SMN1; SMN2TSHR
SCHEMBL23779918 0.69 CACNA2D1 (0.67) CACNA2D1GAAALDH1A1KDM4EPOLB
SCHEMBL6082653 0.69 CACNA2D1 (0.59) HTTCACNA2D1GAAALDH1A1SMN1; SMN2
SCHEMBL6082602 0.69 CACNA2D1 (0.59) HTTCACNA2D1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6082187 0.69 CACNA2D1 (0.54) HTTCACNA2D1ALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264420-A1 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2006-11-23 US disclosed
EP-1539180-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1539180-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-06-15 EP disclosed
US-20040048853-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-03-11 US disclosed
WO-2004018058-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-03-04 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 (2 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-20060264420-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HTT 2077/4885CACNA2D1 3969/4885GAA 314/4885
US-20040048853-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HTT 2077/4885CACNA2D1 3969/4885GAA 314/4885

“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.