SCHEMBL378303

SCHEMBL378303

C[C@H]1CN(Cc2ccc(N(C)C(=O)N3CCC(Oc4cccc(F)c4)CC3)cc2)CCN1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLNR O43193 10/20 0.55
HRH3 Q9Y5N1 2/20 0.46
GAA P10253 1/20 0.45
CCR1 P32246 1/20 0.42
OPRK1 P41145 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL2397555 0.90 MLNR (0.52) MLNRHRH3GAACCR1CCR5
SCHEMBL4212501 0.86 MLNR (0.46) MLNRCCR1FAAHCCR5
SCHEMBL377408 0.85 MLNR (0.76) MLNR
SCHEMBL4210797 0.84 MLNR (0.55) MLNR
SCHEMBL378267 0.84 MLNR (0.55) MLNR
SCHEMBL2765885 0.81 MLNR (0.65) MLNRCCR1MGLL
SCHEMBL2397558 0.81 MLNR (0.46) MLNRHRH3GAAOPRK1FAAH
SCHEMBL3911284 0.81 MLNR (0.47) MLNRCCR1FAAHCCR5
SCHEMBL2765421 0.80 MLNR (0.73) MLNRCCR1MGLLCCR5
SCHEMBL377495 0.79 MLNR (0.54) MLNRCCR1CCR5

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 6/4885HRH3 329/4885GAA 1729/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 MLNR 6/4885HRH3 329/4885GAA 1729/4885

“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.