SCHEMBL6025807

SCHEMBL6025807

CCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 5/20 0.51
DTYMK P23919 1/20 0.42
GBA1 P04062 2/20 0.42
HTT P42858 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6026147 0.88 CACNA2D1 (0.56) CACNA2D1HTTPDE4APDE4BPDE4C
SCHEMBL6026329 0.85 HTT (0.62) CACNA2D1HTTALDH1A1TSHRKDM4E
SCHEMBL6082653 0.82 CACNA2D1 (0.59) CACNA2D1HTTPDE4APDE4BPDE4C
SCHEMBL6082602 0.82 CACNA2D1 (0.59) CACNA2D1HTTPDE4APDE4BPDE4C
SCHEMBL6082444 0.80 CACNA2D1 (0.55) CACNA2D1HTTPDE4APDE4BPDE4C
SCHEMBL6082629 0.80 CACNA2D1 (0.51) CACNA2D1HTTPDE4APDE4BPDE4C
SCHEMBL6026332 0.80 CACNA2D1 (0.73) CACNA2D1HTTPDE4APDE4BPDE4C
SCHEMBL6026139 0.79 KIF11 (0.44) CACNA2D1GPR119BRD4SMN1; SMN2
SCHEMBL6081986 0.78 HTT (0.52) CACNA2D1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6082187 0.78 CACNA2D1 (0.54) CACNA2D1HTTOPRK1PDE4APDE4B

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 CACNA2D1 3969/4885DTYMK 706/4885GBA1 975/4885
US-20040048853-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 CACNA2D1 3969/4885DTYMK 706/4885GBA1 975/4885

“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.