SCHEMBL6082004

SCHEMBL6082004

CCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CC(C)NCC1C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 11/20 0.64
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 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
SCHEMBL6026332 0.76 CACNA2D1 (0.73) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6026287 0.76 CACNA2D1 (0.53) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6026735 0.75 CACNA2D1 (0.51) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6082602 0.75 CACNA2D1 (0.59) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6082653 0.75 CACNA2D1 (0.59) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6082948 0.74 CACNA2D1 (0.56) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6214463 0.74 SIGMAR1 (0.59) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL13982752 0.73 CACNA2D1 (0.55) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6026147 0.73 CACNA2D1 (0.56) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL2351103 0.73 PDE4A (0.56) CACNA2D1PDE4APDE4BPDE4CPDE4D

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-7060705-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2006-06-13 US claimed
US-20040259826-A1 Mitotic kinesin inhibitors MERCK & CO., INC. 2004-12-23 US 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 CACNA2D1 3967/4885PDE4A 2539/4885PDE4B 2732/4885

“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.