SCHEMBL376913

SCHEMBL376913

CN(C(=O)N1CCC(Nc2cccc(F)c2)CC1)c1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLNR O43193 12/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 2/20 0.38
KCNH2 Q12809 1/20 0.38
FAAH O00519 2/20 0.38
CYP1A2 P05177 1/20 0.37
GHSR Q92847 1/20 0.37
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL377748 0.90 MLNR (0.49) MLNRKDM4ECYP3A4CYP2D6KCNH2
SCHEMBL377719 0.87 MLNR (0.40) MLNRKDM4ECYP3A4CYP2D6KCNH2
SCHEMBL4217490 0.82 MLNR (0.45) MLNRKDM4ECYP3A4CYP2D6KCNH2
SCHEMBL1704167 0.79 MLNR (0.61) MLNRCYP3A4CYP2D6KCNH2CYP1A2
SCHEMBL377552 0.79 MLNR (0.62) MLNRCYP3A4CYP2D6KCNH2
SCHEMBL376912 0.78 MLNR (0.44) MLNRKDM4ECYP3A4CYP2D6KCNH2
SCHEMBL1312679 0.78 MLNR (0.54) MLNRCYP3A4CYP2D6KCNH2CYP1A2
SCHEMBL2397562 0.78 MLNR (0.39) MLNRCYP3A4KCNH2FAAH
SCHEMBL377588 0.77 CHRM4 (0.45) MLNRCYP2D6KCNH2FAAHKMT2A
SCHEMBL3912866 0.76 MLNR (0.42) MLNRKDM4ECYP3A4CYP2D6KCNH2

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 3 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-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

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-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 MLNR 6/4885KDM4E 4252/4885CYP3A4 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.