SCHEMBL2011312

SCHEMBL2011312

C[C@@H]1CN(Cc2csc(-c3cccnc3N3CCC(Nc4cccc(F)c4)CC3)n2)C[C@H](C)N1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLNR O43193 19/20 0.62
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
GHSR Q92847 2/20 0.49
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3134318 0.91 MLNR (0.71) MLNRCYP3A4CYP2D6GHSR
Hydrochloric Acid SCHEMBL2015309 0.90 MLNR (0.70) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2009388 0.85 MLNR (0.55) MLNRCYP3A4CYP2D6GHSRKDM4E
SCHEMBL2006917 0.82 MLNR (0.69) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL2010875 0.81 MLNR (0.84) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4743902 0.81 MLNR (0.84) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4648049 0.78 MLNR (0.44) MLNRCYP3A4CYP2D6GHSRKDM4E
SCHEMBL2012328 0.78 MLNR (0.44) MLNRCYP3A4CYP2D6GHSRKDM4E
SCHEMBL2008923 0.77 MLNR (0.78) MLNRCYP3A4CYP2D6GHSR
Hydrochloric Acid SCHEMBL2011751 0.77 MLNR (0.77) MLNRCYP3A4CYP2D6GHSR

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 15 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 claimed
EP-1960390-B1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LTD (GB) 2010-07-21 EP claimed
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 US claimed
EP-1960390-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-27 EP claimed
WO-2007065669-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-06-14 WO claimed
US-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
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
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 US disclosed
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 US disclosed
EP-1960390-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007065669-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-06-14 WO disclosed
WO-2007065669-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-06-14 WO 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 47/4885CYP3A4 1125/4885CYP2D6 1351/4885

“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.