SCHEMBL4066901

SCHEMBL4066901

CC(C)C(=O)c1ccc2c(c1)CCN(CCC1CCC(NC(=O)CCc3c[nH]c4ccccc34)CC1)CC2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD2 P14416 13/20 0.47
DRD3 P35462 8/20 0.47
NPY5R Q15761 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 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
SCHEMBL4066904 1.00 HPGD (0.56) HPGDHTTRECQLBCHEACHE
SCHEMBL4069288 0.93 NPY5R (0.53) HPGDHTTRECQLBCHEACHE
SCHEMBL4069290 0.93 NPY5R (0.53) HPGDHTTRECQLBCHEACHE
Formic Acid SCHEMBL4068535 0.84 DRD2 (0.52) DRD2DRD3
Formic Acid SCHEMBL5424282 0.84 DRD2 (0.52) DRD2DRD3
SCHEMBL4074425 0.82 DRD2 (0.50) DRD2DRD3
SCHEMBL4074420 0.82 DRD2 (0.50) DRD2DRD3
SCHEMBL4070656 0.81 DRD2 (0.49) DRD2DRD3
SCHEMBL4070649 0.81 DRD2 (0.49) DRD2DRD3
SCHEMBL4070309 0.80 DRD2 (0.53) 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 HPGD 439/4885HTT 4104/4885RECQL 1699/4885

“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.