SCHEMBL4088101

SCHEMBL4088101

C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.45
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.38
NPY2R P49146 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.37
CACNA1A O00555 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL4102819 1.00 SLC6A9 (0.45) SLC6A9KDM4ELMNANPY2RSCN5A
SCHEMBL4092989 0.88 SLC6A9 (0.48) SLC6A9KDM4ELMNAGAAKMT2A
SCHEMBL4093117 0.88 SLC6A9 (0.48) SLC6A9KDM4ELMNAGAAKMT2A
SCHEMBL4093105 0.88 SLC6A9 (0.42) SLC6A9KDM4ELMNANPY2RSCN5A
SCHEMBL4088232 0.88 SLC6A9 (0.42) SLC6A9KDM4ELMNANPY2RSCN5A
SCHEMBL4095530 0.84 SCN5A (0.42) SLC6A9KDM4ESCN5ASCN9AKMT2A
SCHEMBL4093863 0.84 SCN5A (0.42) SLC6A9KDM4ESCN5ASCN9AKMT2A
SCHEMBL18263843 0.81 SLC6A9 (0.66) SLC6A9KMT2ACACNA1ACACNA2D1CACNB1
SCHEMBL18263721 0.81 SLC6A9 (0.66) SLC6A9KMT2ACACNA1ACACNA2D1CACNB1
SCHEMBL18263722 0.81 SLC6A9 (0.66) SLC6A9KMT2ACACNA1ACACNA2D1CACNB1

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 SLC6A9 4784/4885KDM4E 3298/4885LMNA 4074/4885

“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.