SCHEMBL4095530

SCHEMBL4095530

C=CCN(C)C(=O)[C@@H](c1ccccc1)N1CCN(C(=O)O)[C@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SLC6A9 P48067 8/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 4/20 0.39
CCR5 P51681 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4093863 1.00 SCN5A (0.42) SCN5ASCN9ASLC6A9MEN1ALDH1A1
SCHEMBL4102819 0.84 SLC6A9 (0.45) SCN5ASCN9ASLC6A9MEN1ALDH1A1
SCHEMBL4088101 0.84 SLC6A9 (0.45) SCN5ASCN9ASLC6A9MEN1ALDH1A1
SCHEMBL13724557 0.83 ALDH1A1 (0.48) SCN5ASCN9AMEN1ALDH1A1POLB
SCHEMBL13724564 0.83 ALDH1A1 (0.48) SCN5ASCN9AMEN1ALDH1A1POLB
SCHEMBL4093033 0.82 SCN5A (0.40) SCN5ASCN9ASLC6A9MEN1ALDH1A1
SCHEMBL4095513 0.82 SCN5A (0.40) SCN5ASCN9ASLC6A9MEN1ALDH1A1
SCHEMBL4093117 0.80 SLC6A9 (0.48) SLC6A9MEN1ALDH1A1POLBKMT2A
SCHEMBL4092989 0.80 SLC6A9 (0.48) SLC6A9MEN1ALDH1A1POLBKMT2A
SCHEMBL4093105 0.80 SLC6A9 (0.42) SCN5ASCN9ASLC6A9MEN1ALDH1A1

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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT SCN5A 329/4885SCN9A 3265/4885SLC6A9 4784/4885

“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.