SCHEMBL3134434

SCHEMBL3134434

C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)CCN1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.73
MGLL Q99685 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SLC16A3 O15427 4/20 0.36
SLC16A1 P53985 4/20 0.36
SCN9A Q15858 1/20 0.35
GPR6 P46095 1/20 0.35
CNR1 P21554 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL3138321 0.92 MLNR (0.72) MLNRMGLLHRH1CCR3KCNH2
SCHEMBL2010301 0.91 MLNR (0.66) MLNRMGLLHRH3SLC16A3SLC16A1
SCHEMBL2009345 0.84 MLNR (1.00) MLNR
SCHEMBL4690685 0.84 MLNR (1.00) MLNRHRH1CCR3KCNH2SCN9A
SCHEMBL2009415 0.84 MLNR (1.00) MLNRHRH1CCR3KCNH2SCN9A
SCHEMBL2013138 0.83 MLNR (0.65) MLNRMGLL
SCHEMBL2010303 0.82 MLNR (0.63) MLNRHRH1CCR3KCNH2HRH3
SCHEMBL2012520 0.79 MLNR (0.63) MLNRHRH3SLC16A3SLC16A1CNR1
SCHEMBL2007837 0.78 MLNR (0.73) MLNRHRH1CCR3KCNH2HRH3
SCHEMBL2007976 0.76 MLNR (1.00) MLNR

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
EP-1960390-B1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LTD (GB) 2010-07-21 EP disclosed
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 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-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GPR88, GPR68, GPBAR1 MLNR 47/4885MGLL 398/4885HRH1 276/4885

“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.