SCHEMBL460944

SCHEMBL460944

CN(C(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MLNR O43193 7/20 0.51
CYP3A4 P08684 4/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
KDM1A O60341 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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 0.91 MLNR (0.53) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL378028 0.85 MLNR (0.60) MLNRCYP3A4
SCHEMBL378019 0.83 MLNR (0.53) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL377801 0.82 ALDH1A1 (0.75) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL15664750 0.81 MEN1 (0.54) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL460945 0.81 MLNR (0.50) MLNRCYP3A4
SCHEMBL377747 0.81 MLNR (0.54) MLNRCYP3A4
SCHEMBL1312677 0.81 MLNR (0.57) MLNRCYP3A4TP53KDM4E
SCHEMBL377711 0.80 MLNR (0.74) MLNRCYP3A4
SCHEMBL2902092 0.80 KDM1A (0.55) KDM1AIDO1TDO2IDO2

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 ALDH1A1 3575/4885MAPT 3016/4885NPC1 711/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ALDH1A1 3575/4885MAPT 3016/4885NPC1 711/4885

“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.