SCHEMBL5710798

SCHEMBL5710798

C#CC(C)(C)N1CCN(C(=O)OCC)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 4/20 0.46
RECQL P46063 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4382780 0.81 USP2 (0.50) ALDH1A1SMN1; SMN2RECQLHRH3MAPT
SCHEMBL4933010 0.80 ALDH1A1 (0.56) ALDH1A1POLBHTTSMN1; SMN2GAA
SCHEMBL1684895 0.78
SCHEMBL10985089 0.78 ALDH1A1 (0.72) ALDH1A1POLBHTTSMN1; SMN2GAA
SCHEMBL23561209 0.77 ALDH1A1 (0.53) ALDH1A1POLBHTTSMN1; SMN2GAA
SCHEMBL6600585 0.77 HRH3 (0.47) HRH3KMT2AMEN1LMNA
SCHEMBL2175867 0.77 HRH3 (0.47) ALDH1A1HTTHRH3MAPTKMT2A
SCHEMBL12156720 0.77 ALDH1A1 (0.56) ALDH1A1POLBHTTSMN1; SMN2GAA
SCHEMBL12312802 0.75 ALDH1A1 (0.50) ALDH1A1POLBHTTSMN1; SMN2GAA
SCHEMBL926164 0.74 TSHR (0.55) ALDH1A1POLBHTTSMN1; SMN2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716130-A1 ACETYLINIC PIPERAZINE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060235024-A1 Acetylinic piperazine compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-10-19 US disclosed
WO-2005080363-A1 ACETYLINIC PIPERAZINE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2005-09-01 WO 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-20060235024-A1 Acetylinic piperazine compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRIN1, GRM5 ALDH1A1 788/4885POLB 3428/4885HTT 699/4885

“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.