SCHEMBL377502

SCHEMBL377502

Cc1cc(N)ccc1CN1CCN(C(=O)O)[C@@](C)(C(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
GRIN2B Q13224 3/20 0.36
RAD52 P43351 2/20 0.35
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
ACHE P22303 2/20 0.33
CCR2 P41597 1/20 0.33
FAAH O00519 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
COMT P21964 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
SCHEMBL1995977 0.86 NR1H2 (0.55) NR1H2GAAALDH1A1KDM4EATM
SCHEMBL377621 0.85 CNR2 (0.36) GRIN2BGAAALDH1A1KDM4EATM
SCHEMBL377939 0.83 CNR2 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL377823 0.82 LMNA (0.44) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL377467 0.82 LMNA (0.44) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL27919727 0.76 GRIN2B (0.51) NR1H2GRIN2BGAAALDH1A1KDM4E
SCHEMBL2002475 0.73 MLNR (0.43) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL1999431 0.73 ALDH1A1 (0.34) NR1H2ALDH1A1KDM4EATMTDP1
SCHEMBL1704591 0.72 CHRM2 (0.37) GAAALDH1A1KDM4EATMGFER
SCHEMBL1632683 0.72 KDM4E (0.48) ALDH1A1KDM4ENPSR1TDP1FAAH

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 NR1H2 270/4885GRIN2B 622/4885RAD52 4027/4885

“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.