SCHEMBL2008069

SCHEMBL2008069

C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccccc4F)CC3)n2)C[C@H](C)N1C(=O)C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 5/20 0.73
▸ SCD O00767 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.36
▸ GPR6 P46095 9/20 0.36

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 0.91 MLNR (0.73) MLNRHRH3
SCHEMBL2012437 0.85 MLNR (1.00) MLNRSCDHRH3GPR6
SCHEMBL2008090 0.83 MLNR (0.73) MLNRGPR6
SCHEMBL2012520 0.80 MLNR (0.63) MLNRHRH3
SCHEMBL3134434 0.75 MLNR (0.73) MLNRHRH3GPR6
SCHEMBL3128327 0.72 MLNR (0.85) MLNR
SCHEMBL2009415 0.71 MLNR (1.00) MLNR
SCHEMBL2005788 0.71 MLNR (0.78) MLNR
SCHEMBL2009345 0.69 MLNR (1.00) MLNR
SCHEMBL2013140 0.69 MLNR (0.61) 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 47/4885SCD 704/4885HRH3 320/4885

“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.

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