SCHEMBL377939

SCHEMBL377939

CC(=O)Nc1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
KIT P10721 3/20 0.38
ABL1 P00519 4/20 0.38
ALDH1A1 P00352 3/20 0.38
BCR P11274 3/20 0.38
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRAF P15056 1/20 0.36
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TACR1 P25103 1/20 0.35
S1PR1 P21453 1/20 0.35
MOK Q9UQ07 1/20 0.35

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
SCHEMBL377502 0.83 NR1H2 (0.36) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL377425 0.75 RAB9A (0.40) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3565835 0.73 RAB9A (0.41) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2766913 0.72 MGLL (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL1995977 0.72 NR1H2 (0.55) KITABL1ALDH1A1MKNK2KDM4E
SCHEMBL15785524 0.72 LMNA (0.50) CNR2ABL1ALDH1A1BCRMKNK1
SCHEMBL377607 0.71 FAAH (0.37) ALDH1A1KDM4E
SCHEMBL2004447 0.70 KCNJ1 (0.41) KITALDH1A1KDM4EMEN1KMT2A
SCHEMBL1704763 0.69 CYP4F2 (0.38) ALDH1A1KDM4ECYP3A4
SCHEMBL377938 0.68 MGLL (0.42) MEN1KMT2ATACR1

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 4 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
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 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 CNR2 155/4885KIT 513/4885ABL1 2327/4885

“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.