SCHEMBL377770

SCHEMBL377770

CN(C(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
MCHR1 Q99705 1/20 0.38
MLNR O43193 3/20 0.38
FAAH O00519 1/20 0.38
AGTR2 P50052 4/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
ACHE P22303 1/20 0.36
SLC18A3 Q16572 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
CCR1 P32246 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
SCHEMBL377588 0.90 CHRM4 (0.45) CHRM4MLNRFAAHAGTR2ADAMTS5
SCHEMBL377489 0.84 MLNR (0.41) MLNRFAAH
SCHEMBL2397558 0.82 MLNR (0.46) MLNRFAAHAGTR2ACHE
SCHEMBL377748 0.82 MLNR (0.49) MLNRFAAH
SCHEMBL377854 0.79 MLNR (0.47) MLNRFAAH
SCHEMBL3911284 0.78 MLNR (0.47) CHRM4MLNRFAAHSLC18A3SIGMAR1
SCHEMBL2397562 0.78 MLNR (0.39) MCHR1MLNRFAAHSIGMAR1
SCHEMBL3559659 0.78 MLNR (0.49) MCHR1MLNR
SCHEMBL2393780 0.77 FAAH (0.40) MLNRFAAH
SCHEMBL2396382 0.77 MLNR (0.43) MLNRFAAHACHE

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 395/4885MCHR1 66/4885MLNR 6/4885

“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.