SCHEMBL1312337

SCHEMBL1312337

COc1cc(NC2CCN(C(=O)CNc3ccc(CN4CCN(C(=O)O)[C@@H](C)C4)cc3)CC2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLNR O43193 16/20 0.53
CYP3A4 P08684 6/20 0.48
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
CCR1 P32246 3/20 0.44
FPR3 P25089 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL1313169 0.94 MLNR (0.52) MLNRCYP3A4CYP2D6KCNH2CCR1
SCHEMBL1312338 0.87 MLNR (0.47) MLNRCYP3A4CYP2D6KCNH2CCR1
SCHEMBL377818 0.81 MLNR (0.46) MLNRCYP3A4CYP2D6KCNH2CCR1
SCHEMBL4178203 0.80 MLNR (0.60) MLNRCYP3A4CYP2D6KCNH2
SCHEMBL4185674 0.79 MLNR (0.73) MLNRCYP3A4CYP2D6KCNH2CCR1
SCHEMBL1704355 0.79 MLNR (0.84) MLNRCYP3A4CYP2D6KCNH2
SCHEMBL4187464 0.78 MLNR (0.73) MLNRCYP3A4CYP2D6KCNH2
SCHEMBL4175748 0.78 MLNR (0.73) MLNRCYP3A4CYP2D6KCNH2
SCHEMBL4185723 0.78 MLNR (0.76) MLNRCYP3A4CYP2D6KCNH2
SCHEMBL377495 0.74 MLNR (0.54) MLNRCYP3A4CYP2D6KCNH2CCR1

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
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 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 6/4885CYP3A4 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.