SCHEMBL2011340

SCHEMBL2011340

Fc1ccc(NC2CCN(c3ncccc3-c3ccsc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.53
TOP1 P11387 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
GHSR Q92847 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 1/20 0.38
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
HTR1A P08908 3/20 0.36
HTR7 P34969 3/20 0.36
HTR6 P50406 2/20 0.36
OPRK1 P41145 1/20 0.36

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 0.77 MLNR (0.50) MLNRCYP3A4CYP2D6GHSRTRPV1
SCHEMBL2008145 0.73 MLNR (0.50) MLNRCYP3A4CYP2D6GHSRTRPV1
SCHEMBL3134318 0.72 MLNR (0.71) MLNRCYP3A4CYP2D6GHSR
SCHEMBL1729840 0.71 KMT2A (0.45) MLNRCYP3A4TRPV1ALDH1A1DRD2
SCHEMBL3138703 0.70 MLNR (0.53) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2008923 0.69 MLNR (0.78) MLNRCYP3A4CYP2D6GHSR
Hydrochloric Acid SCHEMBL2008327 0.69 MLNR (0.52) MLNRCYP3A4CYP2D6GHSR
Hydrochloric Acid SCHEMBL2011751 0.69 MLNR (0.77) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2010058 0.68 MLNR (0.71) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2013240 0.68 MLNR (0.69) 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 5 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
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

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 47/4885TOP1 4772/4885CYP3A4 1125/4885

“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.