SCHEMBL13701595

SCHEMBL13701595

C=C(C)OC(=O)N1CCN(C(c2ccccc2)c2ccccc2)C(CO)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
NOD2 Q9HC29 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MGLL Q99685 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
SLC6A9 P48067 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4279035 0.83 GPR119 (0.44) KMT2AALDH1A1NPC1MAPTHTT
SCHEMBL5048028 0.81 ALDH1A1 (0.43) KMT2ANPSR1ALDH1A1NPC1MGLL
SCHEMBL4277413 0.77 NPC1 (0.45) KMT2ANPSR1ALDH1A1NPC1MEN1
SCHEMBL27402874 0.76 SLC6A9 (0.45) KMT2AMEN1SLC6A9
SCHEMBL12564000 0.76 PDK1 (0.48) KMT2ANPSR1NPC1MEN1
SCHEMBL27403372 0.74 CYP3A4 (0.39) CYP3A4
SCHEMBL8240277 0.74 ALDH1A1 (0.41) ALDH1A1NPC1CACNA1HCACNA2D1CACNA1B
SCHEMBL4283097 0.74 GRM7 (0.44) KMT2ANPSR1ALDH1A1NPC1HTT
SCHEMBL30961629 0.73 MGLL (0.46) KMT2ANPSR1MGLLTSHRMEN1
SCHEMBL4275669 0.72 NPC1 (0.40) KMT2ANPSR1NOD2ALDH1A1NPC1

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 KMT2A 2235/4885NPSR1 175/4885NOD2 1135/4885

“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.