SCHEMBL2148144

SCHEMBL2148144

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CHRM4 P08173 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
SCN4A P35499 2/20 0.37
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
DRD3 P35462 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 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
SCHEMBL2148317 1.00 GAA (0.41) GAACHRM4BCHEACHEBACE1
SCHEMBL29601945 0.83 GAA (0.48) GAACHRM4BCHEACHEBACE1
SCHEMBL2148134 0.83 GAA (0.48) GAACHRM4BCHEACHEBACE1
SCHEMBL2148139 0.82 GAA (0.46) GAACHRM4BCHEACHEBACE1
Cadaverine Tartrate SCHEMBL29273918 0.76 SCN4A (0.48) BCHEACHEBACE1SCN4ADRD2
Cadaverine Tartrate SCHEMBL29273920 0.76 SCN4A (0.48) BCHEACHEBACE1SCN4ADRD2
Acetic Acid SCHEMBL22497325 0.74 SCN4A (0.52) BCHEACHEBACE1SCN4ADRD2
SCHEMBL6532888 0.74 TDP1 (0.42) LMNA
SCHEMBL5461407 0.74 TDP1 (0.42) LMNA
SCHEMBL72172 0.74 TDP1 (0.42) LMNA

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 4069/4885CHRM4 4877/4885BCHE 4767/4885

“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.