SCHEMBL378304

SCHEMBL378304

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLNR O43193 8/20 0.48
FAAH O00519 1/20 0.42
CHRM4 P08173 4/20 0.40
CYP3A4 P08684 2/20 0.39
DRD4 P21917 1/20 0.38
ACHE P22303 1/20 0.37
PGR P06401 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL2396378 0.90 MLNR (0.45) MLNRFAAHCHRM4CYP3A4PGR
SCHEMBL377798 0.88 KDM4E (0.49) MLNRFAAHCYP3A4DRD4
SCHEMBL377935 0.86 FAAH (0.42) MLNRFAAHCYP3A4DRD4MGLL
SCHEMBL1313152 0.86 MLNR (0.56) MLNRFAAHCHRM4CYP3A4
SCHEMBL377805 0.85 MLNR (0.56) MLNRCYP3A4CYP2D6
SCHEMBL377511 0.84 MLNR (0.58) MLNRFAAHCYP3A4CYP2D6
SCHEMBL377495 0.82 MLNR (0.54) MLNRCYP3A4CYP2D6
SCHEMBL2396382 0.81 MLNR (0.43) MLNRFAAHCYP3A4DRD4ACHE
SCHEMBL4210797 0.80 MLNR (0.55) MLNRCYP3A4CYP2D6
SCHEMBL378267 0.80 MLNR (0.55) MLNRCYP3A4CYP2D6

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 4 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-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 6/4885FAAH 1304/4885CHRM4 395/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 MLNR 6/4885FAAH 1304/4885CHRM4 395/4885

“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.