SCHEMBL2012437

SCHEMBL2012437

C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccccc4F)CC3)n2)C[C@H](C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLNR O43193 10/20 1.00
SCD O00767 1/20 0.37
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GPR6 P46095 2/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34

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
SCHEMBL2007976 0.89 MLNR (1.00) MLNRCYP3A4
SCHEMBL4690685 0.85 MLNR (1.00) MLNRSCN9AKCNH2CYP3A4
SCHEMBL2009415 0.85 MLNR (1.00) MLNRSCN9AKCNH2CYP3A4
SCHEMBL2005788 0.85 MLNR (0.78) MLNRCYP3A4
SCHEMBL2008069 0.85 MLNR (0.73) MLNRSCDHRH3GPR6
SCHEMBL3128327 0.81 MLNR (0.85) MLNRCYP3A4
SCHEMBL2004322 0.81 MLNR (1.00) MLNRCYP3A4
Hydrochloric Acid SCHEMBL2009168 0.80 MLNR (0.98) MLNRCYP3A4
SCHEMBL2009345 0.78 MLNR (1.00) MLNR
SCHEMBL4743902 0.77 MLNR (0.84) MLNRKCNH2CYP3A4

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 6 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
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 704/4885SCN5A 1873/4885

“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.