SCHEMBL2012520

SCHEMBL2012520

C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCCC(Oc4cccc(F)c4)C3)n2)C[C@H](C)N1C(=O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.63
SLC16A3 O15427 8/20 0.36
SLC16A1 P53985 8/20 0.36
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CNR1 P21554 1/20 0.32

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
SCHEMBL2007837 0.85 MLNR (0.73) MLNRHRH3
SCHEMBL2008069 0.80 MLNR (0.73) MLNRHRH3
SCHEMBL3134434 0.79 MLNR (0.73) MLNRSLC16A3SLC16A1HRH3CNR1
SCHEMBL2009415 0.78 MLNR (1.00) MLNRCYP1A2
SCHEMBL4690685 0.78 MLNR (1.00) MLNRCYP1A2
SCHEMBL2008090 0.78 MLNR (0.73) MLNR
SCHEMBL2010301 0.75 MLNR (0.66) MLNRSLC16A3SLC16A1HRH3
SCHEMBL2009345 0.75 MLNR (1.00) MLNR
SCHEMBL2010303 0.70 MLNR (0.63) MLNRSLC16A3SLC16A1HRH3
SCHEMBL2007976 0.69 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
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 47/4885SLC16A3 864/4885SLC16A1 799/4885

“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.