SCHEMBL2007976

SCHEMBL2007976

C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccc(F)cc4)CC3)n2)C[C@H](C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLNR O43193 12/20 1.00
CYP3A4 P08684 3/20 0.44
CHRM4 P08173 4/20 0.37
CYP2D6 P10635 1/20 0.36
GHSR Q92847 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 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
SCHEMBL3128327 0.92 MLNR (0.85) MLNRCYP3A4CHRM4
SCHEMBL4690685 0.91 MLNR (1.00) MLNRCYP3A4CHRM4CYP2D6GHSR
SCHEMBL2009415 0.91 MLNR (1.00) MLNRCYP3A4CHRM4CYP2D6GHSR
SCHEMBL2012437 0.89 MLNR (1.00) MLNRCYP3A4
SCHEMBL2004322 0.85 MLNR (1.00) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2007837 0.84 MLNR (0.73) MLNRCYP3A4ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2009168 0.84 MLNR (0.98) MLNRCYP3A4CYP2D6GHSR
SCHEMBL3138321 0.84 MLNR (0.72) MLNRALDH1A1KMT2A
SCHEMBL2009345 0.83 MLNR (1.00) MLNR
SCHEMBL2005788 0.81 MLNR (0.78) 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 8 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
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 47/4885CYP3A4 1125/4885CHRM4 515/4885

“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.