SCHEMBL377998

SCHEMBL377998

CC(C)(C)N(Cc1ccc(C=O)nc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL2065633 0.79 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL942814 0.79 MEN1 (0.51) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL6425765 0.76 AR (0.42) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL356816 0.73 MEN1 (0.51) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL18527956 0.73 MEN1 (0.51) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL8773482 0.72 MEN1 (0.69) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL23931825 0.72 MEN1 (0.50) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL15328453 0.72 MEN1 (0.50) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL17371937 0.72 MEN1 (0.50) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL23116262 0.72 MEN1 (0.51) MEN1KMT2AL3MBTL1HTTLMNA

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-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 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-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 MEN1 1365/4885KMT2A 3010/4885L3MBTL1 4810/4885

“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.