SCHEMBL4069288

SCHEMBL4069288

CC(C)C(=O)c1ccc2c(c1)CCN(CCC1CCC(NC(=O)Cc3c[nH]c4ccccc34)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
SIGMAR1 Q99720 1/20 0.50
DRD2 P14416 13/20 0.49
DRD3 P35462 8/20 0.48
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL4069290 1.00 NPY5R (0.53) NPY5RSIGMAR1DRD2DRD3PRMT5
SCHEMBL4066901 0.93 HPGD (0.56) NPY5RDRD2DRD3ADRA2AADRA2B
SCHEMBL4066904 0.93 HPGD (0.56) NPY5RDRD2DRD3ADRA2AADRA2B
Formic Acid SCHEMBL4068535 0.86 DRD2 (0.52) DRD2DRD3
Formic Acid SCHEMBL5424282 0.86 DRD2 (0.52) DRD2DRD3
SCHEMBL4074420 0.82 DRD2 (0.50) DRD2DRD3
SCHEMBL4074425 0.82 DRD2 (0.50) DRD2DRD3
SCHEMBL4070309 0.82 DRD2 (0.53) DRD2DRD3
SCHEMBL4070312 0.82 DRD2 (0.53) DRD2DRD3
SCHEMBL4064631 0.80 DRD2 (0.48) DRD2DRD3

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 NPY5R 1343/4885SIGMAR1 136/4885DRD2 969/4885

“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.