SCHEMBL377500

SCHEMBL377500

C[C@@H]1CN(Cc2ccc(N(C)C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)N1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLNR O43193 20/20 0.73
CYP3A4 P08684 9/20 0.64
CYP2D6 P10635 3/20 0.64
GHSR Q92847 2/20 0.64
CYP1A2 P05177 1/20 0.64
KCNH2 Q12809 1/20 0.63

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
SCHEMBL377832 0.92 MLNR (0.76) MLNRCYP3A4CYP2D6KCNH2
SCHEMBL377443 0.92 MLNR (0.76) MLNRCYP3A4CYP2D6KCNH2
SCHEMBL4217037 0.88 MLNR (0.57) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL377453 0.88 MLNR (0.62) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4210797 0.85 MLNR (0.55) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL378267 0.85 MLNR (0.55) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1704176 0.84 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1704769 0.84 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1312677 0.84 MLNR (0.57) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1704464 0.83 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2

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 8 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 claimed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US claimed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US claimed
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 1156/4885CYP2D6 1244/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 MLNR 6/4885CYP3A4 1156/4885CYP2D6 1244/4885

“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.