SCHEMBL377588

SCHEMBL377588

CN(C(=O)N1CCC(c2cccc(F)c2)CC1)c1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.45
ADAMTS5 Q9UNA0 1/20 0.40
FAAH O00519 1/20 0.40
MLNR O43193 2/20 0.38
ACHE P22303 1/20 0.37
AGTR2 P50052 2/20 0.37
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCR5 P51681 1/20 0.36
LIPE Q05469 1/20 0.36
SCD5 Q86SK9 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD4 P21917 1/20 0.36
KCNQ2 O43526 1/20 0.36
NPC1 O15118 1/20 0.35
CYP2D6 P10635 1/20 0.35
RECQL P46063 1/20 0.35
DRD2 P14416 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
SCHEMBL377770 0.90 CHRM4 (0.42) CHRM4ADAMTS5FAAHMLNRACHE
SCHEMBL377489 0.89 MLNR (0.41) FAAHMLNRCYP2D6DRD2
SCHEMBL377748 0.87 MLNR (0.49) FAAHMLNRKCNH2KMT2ACYP2D6
SCHEMBL2397558 0.87 MLNR (0.46) FAAHMLNRACHEAGTR2KCNH2
SCHEMBL4212501 0.80 MLNR (0.46) CHRM4ADAMTS5FAAHMLNRCCR5
SCHEMBL3570120 0.77 MLNR (0.53) MLNRMEN1KMT2A
SCHEMBL2397562 0.77 MLNR (0.39) FAAHMLNRKCNH2
SCHEMBL376913 0.77 MLNR (0.40) FAAHMLNRAGTR2KCNH2KMT2A
SCHEMBL377719 0.77 MLNR (0.40) MLNRAGTR2KCNH2CYP2D6
SCHEMBL3559461 0.77 MLNR (0.60) MLNR

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 CHRM4 395/4885ADAMTS5 3040/4885FAAH 1304/4885

“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.