SCHEMBL2011532

SCHEMBL2011532

Fc1ccc(NC2CCN(c3ncccc3Br)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLNR O43193 4/20 0.50
MALT1 Q9UDY8 3/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
TRPV1 Q8NER1 3/20 0.43
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
GHSR Q92847 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PAK1 Q13153 1/20 0.38

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
SCHEMBL2011928 0.86 MLNR (0.53) MLNRMALT1TRPV1CYP3A4CYP2D6
SCHEMBL2009209 0.81 KDM4E (0.48) MLNRMALT1ALDH1A1MAPT
SCHEMBL2011340 0.77 MLNR (0.53) MLNRALDH1A1DRD2DRD3TRPV1
SCHEMBL2009322 0.77 MLNR (0.50) MLNRMALT1
SCHEMBL2008145 0.74 MLNR (0.50) MLNRMALT1ALDH1A1DRD2DRD3
SCHEMBL1728915 0.74 KMT2A (0.50) MALT1ALDH1A1TRPV1CYP3A4
SCHEMBL2008677 0.73 MALT1 (0.46) MALT1TRPV1MAPK1
SCHEMBL4732425 0.72 FPR2 (0.49) ALDH1A1DRD2DRD3MAPTMAPK1
SCHEMBL4733366 0.72 MALT1 (0.46) MALT1ALDH1A1DRD2DRD3
SCHEMBL2008564 0.71 MLNR (0.51) MLNRMALT1CYP2D6

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 47/4885MALT1 1182/4885ALDH1A1 1673/4885

“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.