SCHEMBL377620

SCHEMBL377620

CNc1ccc(CN2CCN(C(=O)O)[C@@H](CC(C)(C)C)C2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
FAAH O00519 1/20 0.38
GRIN2B Q13224 2/20 0.36
KIT P10721 2/20 0.34
S1PR1 P21453 7/20 0.34
S1PR5 Q9H228 1/20 0.34
CNR2 P34972 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL377692 0.84 PKM (0.41)
SCHEMBL377424 0.84 PKM (0.41)
SCHEMBL2765765 0.84 MGLL (0.49) MGLLFAAHPTGDR2
SCHEMBL377606 0.79 HIF1A (0.34) FAAH
SCHEMBL377619 0.76 MGLL (0.43) MGLLFAAHPTGDR2
SCHEMBL2766913 0.73 MGLL (0.48) MGLLFAAHPTGDR2
SCHEMBL2765722 0.72 PTGDR2 (0.48) MGLLFAAHPTGDR2
SCHEMBL2768728 0.72 PTGDR2 (0.44) MGLLFAAHPTGDR2
SCHEMBL377621 0.72 CNR2 (0.36) GRIN2BKITS1PR1CNR2
SCHEMBL2004445 0.71 KCNJ1 (0.40) MGLLKIT

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 MGLL 1468/4885FAAH 1304/4885GRIN2B 622/4885

“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.