SCHEMBL2011928

SCHEMBL2011928

Fc1cccc(NC2CCN(c3ncccc3Br)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLNR O43193 6/20 0.53
KDM4E B2RXH2 1/20 0.52
MALT1 Q9UDY8 4/20 0.42
TRPV1 Q8NER1 2/20 0.39
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL2011532 0.86 MLNR (0.50) MLNRMALT1TRPV1MAPTCYP3A4
SCHEMBL2009209 0.78 KDM4E (0.48) MLNRKDM4EMALT1MAPT
SCHEMBL2006866 0.76 MLNR (0.52) MLNRMALT1
SCHEMBL27666132 0.76 KDM4E (0.49) MLNRKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2090447 0.73 KDM4E (0.46) MLNRKDM4EMAPTCYP1A2CYP3A4
SCHEMBL1803049 0.72 KDM4E (0.66) KDM4EMALT1
SCHEMBL13844240 0.72 KDM4E (0.71) MLNRKDM4ECYP3A4CYP2D6
SCHEMBL4733366 0.72 MALT1 (0.46) KDM4EMALT1
SCHEMBL5542326 0.71 KDM4E (0.58) MLNRKDM4EMAPTCYP1A2CYP3A4
SCHEMBL5542321 0.71 KDM4E (0.58) MLNRKDM4EMAPTCYP1A2CYP3A4

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 47/4885KDM4E 4600/4885MALT1 1182/4885

“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.