SCHEMBL377798

SCHEMBL377798

C[C@H]1CN(Cc2ccc(N(C)C(=O)N3CCC(Nc4ccccc4F)CC3)cc2)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MLNR O43193 11/20 0.46
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 5/20 0.40
CCR1 P32246 3/20 0.40
DRD4 P21917 1/20 0.40
CCR5 P51681 1/20 0.40
FPR3 P25089 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL377935 0.89 FAAH (0.42) MLNRFAAHCYP3A4CCR1DRD4
SCHEMBL378304 0.88 MLNR (0.48) MLNRFAAHCYP3A4DRD4
SCHEMBL377495 0.87 MLNR (0.54) MLNRCYP3A4CCR1CCR5
SCHEMBL4210797 0.85 MLNR (0.55) KDM4EMLNRALDH1A1CYP3A4
SCHEMBL378267 0.85 MLNR (0.55) KDM4EMLNRALDH1A1CYP3A4
SCHEMBL377786 0.85 MLNR (0.56) MLNRCYP3A4
SCHEMBL377432 0.85 MLNR (0.56) MLNRCYP3A4
SCHEMBL1312338 0.83 MLNR (0.47) MLNRCYP3A4CCR1FPR3GPR65
SCHEMBL377818 0.83 MLNR (0.46) MLNRCYP3A4CCR1FPR3GPR65
SCHEMBL1313152 0.82 MLNR (0.56) MLNRFAAHCYP3A4CCR5

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 KDM4E 4252/4885GAA 1729/4885MLNR 6/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 KDM4E 4252/4885GAA 1729/4885MLNR 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.