SCHEMBL2148139

SCHEMBL2148139

CN[C@H]1CN(Cc2ccccc2)CC[C@H]1C.CN[C@H]1CN(Cc2ccccc2)CC[C@H]1C.Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN4A P35499 2/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL1375744 0.85 GAA (0.44) GAABCHEACHEBACE1PKM
SCHEMBL2148277 0.85 GAA (0.44) GAABCHEACHEBACE1PKM
SCHEMBL2148317 0.82 GAA (0.41) GAABCHEACHEBACE1SCN4A
SCHEMBL2148144 0.82 GAA (0.41) GAABCHEACHEBACE1SCN4A
SCHEMBL2148134 0.82 GAA (0.48) GAABCHEACHEBACE1SCN4A
SCHEMBL29601945 0.82 GAA (0.48) GAABCHEACHEBACE1SCN4A
Cadaverine Tartrate SCHEMBL29273918 0.81 SCN4A (0.48) BCHEACHEBACE1SCN4ADRD2
Cadaverine Tartrate SCHEMBL29273920 0.81 SCN4A (0.48) BCHEACHEBACE1SCN4ADRD2
Acetic Acid SCHEMBL22497325 0.80 SCN4A (0.52) BCHEACHEBACE1SCN4ADRD2
SCHEMBL29399167 0.80 TACR1 (0.45) GAAPKMAPEX1CYP2C19BLM

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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 GAA 4069/4885BCHE 4767/4885ACHE 4871/4885

“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.