SCHEMBL378019

SCHEMBL378019

CN(C(=O)N1CCC(Nc2cccc(C#N)c2)CC1)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 1/20 0.43
FAAH O00519 3/20 0.43
CHRM4 P08173 1/20 0.42
USP30 Q70CQ3 1/20 0.41
RORC P51449 1/20 0.41
BRD4 O60885 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL377987 0.88 MLNR (0.53) MLNRCYP3A4ALDH1A1NPC1MAPT
SCHEMBL377421 0.87 MLNR (0.63) MLNRCYP3A4FAAH
SCHEMBL377671 0.84 ALDH1A1 (0.58) MLNRCYP3A4ALDH1A1NPC1MAPT
SCHEMBL460944 0.83 ALDH1A1 (0.55) MLNRCYP3A4ALDH1A1NPC1MAPT
SCHEMBL377929 0.83 MLNR (0.77) MLNRCYP3A4
SCHEMBL377511 0.82 MLNR (0.58) MLNRCYP3A4FAAH
SCHEMBL377853 0.81 MLNR (0.52) MLNRCYP3A4ALDH1A1NPC1MAPT
SCHEMBL377747 0.79 MLNR (0.54) MLNRCYP3A4GPR119
SCHEMBL1312677 0.79 MLNR (0.57) MLNRCYP3A4GPR119
SCHEMBL331605 0.78 ALDH1A1 (0.51) MLNRCYP3A4ALDH1A1NPC1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
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-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 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 (2 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-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 MLNR 6/4885CYP3A4 1156/4885ALDH1A1 3575/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 MLNR 6/4885CYP3A4 1156/4885ALDH1A1 3575/4885

“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.