SCHEMBL6081986

SCHEMBL6081986

CCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
CACNA2D1 P54289 3/20 0.49
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH1 P35367 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6082629 0.92 CACNA2D1 (0.51) HTTCACNA2D1MEN1KMT2AGAA
SCHEMBL6082602 0.84 CACNA2D1 (0.59) HTTCACNA2D1KDM4EMEN1KMT2A
SCHEMBL6026147 0.83 CACNA2D1 (0.56) HTTCACNA2D1KDM4EMEN1KMT2A
SCHEMBL6082444 0.82 CACNA2D1 (0.55) HTTCACNA2D1KDM4EMEN1KMT2A
SCHEMBL6082653 0.80 CACNA2D1 (0.59) HTTCACNA2D1KDM4ETDP1MEN1
SCHEMBL13982788 0.79 CACNA2D1 (0.47) HTTCACNA2D1KDM4ETDP1MEN1
SCHEMBL6025807 0.78 CACNA2D1 (0.51) HTTCACNA2D1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6215560 0.78 PDE4A (0.53) HTTKDM4ETDP1NPSR1MEN1
SCHEMBL6082598 0.78 CACNA2D1 (0.52) HTTCACNA2D1KDM4EMEN1KMT2A
SCHEMBL6026332 0.77 CACNA2D1 (0.73) HTTCACNA2D1KDM4EMEN1KMT2A

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-7060705-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2006-06-13 US claimed
EP-1444209-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-02-16 EP claimed
US-20040259826-A1 Mitotic kinesin inhibitors MERCK & CO., INC. 2004-12-23 US claimed
EP-1444209-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-08-11 EP claimed
WO-2003039460-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-05-15 WO claimed
WO-2008153701-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-12-18 WO disclosed
US-7060705-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2006-06-13 US disclosed
US-20040259826-A1 Mitotic kinesin inhibitors MERCK & CO., INC. 2004-12-23 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 (1 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-20040259826-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B HTT 1243/4885CACNA2D1 3967/4885KDM4E 724/4885

“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.