SCHEMBL5423552

SCHEMBL5423552

COc1ccc(CCC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(C(=O)C(C)C)cc4CC3)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.45
DRD3 P35462 8/20 0.45
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2B P41595 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL5430145 1.00 DRD2 (0.45) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL4071664 0.86 DRD2 (0.50) DRD2DRD3
SCHEMBL4071660 0.86 DRD2 (0.50) DRD2DRD3
SCHEMBL4070649 0.82 DRD2 (0.49) DRD2DRD3
SCHEMBL4070656 0.82 DRD2 (0.49) DRD2DRD3
SCHEMBL4074420 0.80 DRD2 (0.50) DRD2DRD3
SCHEMBL4074425 0.80 DRD2 (0.50) DRD2DRD3
SCHEMBL4064593 0.80 DRD2 (0.47) DRD2DRD3
SCHEMBL5428488 0.80 DRD2 (0.47) DRD2DRD3
SCHEMBL5428492 0.80 DRD2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185090-A1 Muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed
US-20070185090-A1 Muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 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-20070185090-A1 Muscarinic acetylchoine receptor antagonists CHRM3, CHRNG, CHRM2 DRD2 969/4885DRD3 1530/4885HTR1A 597/4885

“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.