SCHEMBL4863149

SCHEMBL4863149

Cc1ccc(C(=O)c2cc(O)c(O)c(C(=O)NCC=CC3OC(n4cnc5c(N)ncnc54)[C@H](O)C3O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 9/20 0.49
PRMT5 O14744 1/20 0.47
PRMT3 O60678 1/20 0.47
PRMT9 Q6P2P2 1/20 0.47
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT1 Q99873 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
PRMT7 Q9NVM4 1/20 0.47
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
TMIGD3 P0DMS9 1/20 0.46
HSP90B1 P14625 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL4862163 1.00 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL14279867 1.00 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862230 1.00 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862183 1.00 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4867568 0.92 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862526 0.92 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862505 0.92 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL14279838 0.92 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862517 0.92 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL8285568 0.92 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1

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-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 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-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 AHCY 814/4885PRMT5 273/4885PRMT3 386/4885

“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.