SCHEMBL13701477

SCHEMBL13701477

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2CCN(C)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.51
HRH1 P35367 6/20 0.51
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
CTSL P07711 2/20 0.41
TSHR P16473 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
CAPN1 P07384 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4685418 0.85 KMT2A (0.57) HRH2HRH1MAPK1ALDH1A1LMNA
SCHEMBL4677918 0.85 MAPK1 (0.52) HRH2HRH1MAPK1ALDH1A1LMNA
SCHEMBL8238788 0.82 CACNA1B (0.46) HRH2HRH1ALDH1A1TSHRCTSK
SCHEMBL13701594 0.81 CACNA1B (0.48) ALDH1A1TSHRCACNA2D1CACNA1BCACNB1
SCHEMBL1706174 0.79 MAPK1 (0.55) HRH2HRH1MAPK1ALDH1A1LMNA
SCHEMBL12535753 0.79 MAPK1 (0.55) HRH2HRH1MAPK1ALDH1A1LMNA
SCHEMBL1706172 0.79 MAPK1 (0.55) HRH2HRH1MAPK1ALDH1A1LMNA
SCHEMBL7352660 0.78 MAPK1 (0.54) HRH2HRH1MAPK1ALDH1A1LMNA
SCHEMBL27432720 0.78 CACNA2D1 (0.48) MAPK1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL27308696 0.76 CACNA2D1 (0.47) MAPK1ALDH1A1CACNA2D1CACNA1BCACNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 HRH2 64/4885HRH1 160/4885MAPK1 3026/4885

“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.