SCHEMBL4064109

SCHEMBL4064109

CC(C)C(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
ROCK2 O75116 1/20 0.48
DRD3 P35462 16/20 0.47
DRD2 P14416 15/20 0.47
IRAK4 Q9NWZ3 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR2A P28223 2/20 0.44

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
SCHEMBL4064111 1.00 HRH2 (0.52) HRH2HRH1ROCK2DRD3DRD2
SCHEMBL4072122 0.84 DRD2 (0.49) HRH2HRH1DRD3DRD2
SCHEMBL4072112 0.84 DRD2 (0.49) HRH2HRH1DRD3DRD2
SCHEMBL4070514 0.81 DRD3 (0.49) DRD3DRD2
SCHEMBL4070512 0.81 DRD3 (0.49) DRD3DRD2
SCHEMBL4075484 0.80 DRD3 (0.53) DRD3DRD2
SCHEMBL4075490 0.80 DRD3 (0.53) DRD3DRD2
SCHEMBL4067934 0.78 DRD2 (0.57) DRD3DRD2
SCHEMBL4067938 0.78 DRD2 (0.57) DRD3DRD2
SCHEMBL4065555 0.77 DRD2 (0.44) DRD3DRD2HTR2A

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
EP-1725240-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP claimed
US-20070185090-A1 Muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP claimed
WO-2005094834-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO claimed
EP-1725240-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP disclosed
US-20070185090-A1 Muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2005094834-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 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-20070185090-A1 Muscarinic acetylchoine receptor antagonists CHRM3, CHRNG, CHRM2 HRH2 132/4885HRH1 253/4885ROCK2 3318/4885

“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.