SCHEMBL7125843

SCHEMBL7125843

COc1ccc2c(c1)CCN(CCO)C2=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.53
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
DRD3 P35462 4/20 0.50
DRD2 P14416 3/20 0.50
DRD4 P21917 2/20 0.50
DRD1 P21728 1/20 0.49
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL380250 0.92 DRD3 (0.53) AOC3PRMT5WDR77DRD3DRD2
SCHEMBL28500280 0.88 ITGB3 (0.60) AOC3ITGB3ITGA2B
SCHEMBL29798701 0.88 ITGB3 (0.60) AOC3ITGB3ITGA2B
SCHEMBL22713735 0.85 AOC3 (0.69) AOC3PRMT5WDR77DRD3DRD2
SCHEMBL29438671 0.85 PRMT5 (0.51) AOC3PRMT5WDR77DRD3DRD2
SCHEMBL471627 0.85 PRMT5 (0.51) AOC3PRMT5WDR77DRD3DRD2
SCHEMBL3693926 0.84 DRD3 (0.56) AOC3DRD3DRD2DRD4DRD1
SCHEMBL3653090 0.84 HRH3 (0.64) DRD2DRD4HRH3
SCHEMBL13201488 0.83 PRMT5 (0.50) AOC3PRMT5WDR77DRD3DRD2
Hydrochloric Acid SCHEMBL4535011 0.83 HRH3 (0.62) DRD2DRD4HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664250-B2 Cardiovascular disorders BRISTOL-MYERS SQUIBB CO. 2003-12-16 US disclosed
US-20030114438-A1 Lactam derivatives as antiarrhythmic agents S ATWAL KARNAIL (US) 2003-06-19 US disclosed
US-6262068-B1 ISOQUINOLONES BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 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-20030114438-A1 Lactam derivatives as antiarrhythmic agents NPR3, SCN3A, NRDC AOC3 11/4885PRMT5 3293/4885WDR77 3574/4885

“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.