SCHEMBL377935

SCHEMBL377935

C[C@H]1CN(Cc2ccc(N(C)C(=O)N3CCC(Nc4ccccc4C(N)=O)CC3)cc2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MLNR O43193 5/20 0.41
CYP3A4 P08684 3/20 0.41
DRD4 P21917 1/20 0.39
CCR1 P32246 4/20 0.38
FPR3 P25089 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MGLL Q99685 1/20 0.38
PARP1 P09874 1/20 0.37
RORC P51449 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL2393775 0.89 BRD4 (0.39) FAAHMLNRCYP3A4CCR1FPR3
SCHEMBL377798 0.89 KDM4E (0.49) FAAHMLNRCYP3A4DRD4CCR1
SCHEMBL378304 0.86 MLNR (0.48) FAAHMLNRCYP3A4DRD4MGLL
SCHEMBL377479 0.85 MLNR (0.49) MLNRCYP3A4
SCHEMBL377495 0.82 MLNR (0.54) MLNRCYP3A4CCR1
SCHEMBL2393780 0.81 FAAH (0.40) FAAHMLNRCYP3A4DRD4PARP1
SCHEMBL4210797 0.81 MLNR (0.55) MLNRCYP3A4
SCHEMBL378267 0.81 MLNR (0.55) MLNRCYP3A4
SCHEMBL1313152 0.80 MLNR (0.56) FAAHMLNRCYP3A4
SCHEMBL377511 0.79 MLNR (0.58) FAAHMLNRCYP3A4

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 2 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-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 (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-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 FAAH 1304/4885MLNR 6/4885CYP3A4 1156/4885

“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.