SCHEMBL4093108

SCHEMBL4093108

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.43
SCN9A Q15858 4/20 0.43
SLC6A9 P48067 6/20 0.43
SLC1A2 P43004 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC1A3 P43003 1/20 0.39
TSHR P16473 4/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY2R P49146 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4088235 1.00 SCN5A (0.43) SCN5ASCN9ASLC6A9SLC1A2ALDH1A1
SCHEMBL4092989 0.80 SLC6A9 (0.48) SLC6A9ALDH1A1MEN1LMNAKMT2A
SCHEMBL4093117 0.80 SLC6A9 (0.48) SLC6A9ALDH1A1MEN1LMNAKMT2A
SCHEMBL4088232 0.77 SLC6A9 (0.42) SCN5ASCN9ASLC6A9ALDH1A1MEN1
SCHEMBL4093105 0.77 SLC6A9 (0.42) SCN5ASCN9ASLC6A9ALDH1A1MEN1
SCHEMBL4088101 0.76 SLC6A9 (0.45) SCN5ASCN9ASLC6A9ALDH1A1MEN1
SCHEMBL4102819 0.76 SLC6A9 (0.45) SCN5ASCN9ASLC6A9ALDH1A1MEN1
SCHEMBL18263721 0.75 SLC6A9 (0.66) SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL18263843 0.75 SLC6A9 (0.66) SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL18263722 0.75 SLC6A9 (0.66) SLC6A9ALDH1A1MEN1KMT2A

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.