SCHEMBL4867441

SCHEMBL4867441

COC(=O)c1cc(C#N)cc2c1OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.41
EIF4A1 P60842 2/20 0.37
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 4/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
GPR55 Q9Y2T6 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4866967 0.86 CNR1 (0.45) CNR1
SCHEMBL4868416 0.81 ALDH1A1 (0.41) CNR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4868406 0.81 KDM4E (0.42) CNR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4863014 0.80 KDM4E (0.37) CNR1KDM4EALDH1A1HPGDMAPT
SCHEMBL8285503 0.78 TRPA1 (0.47) CNR1KDM4EALDH1A1HPGDMAPT
SCHEMBL4867176 0.78 NR4A2 (0.41) CNR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4868951 0.77 SLC6A4 (0.46) CNR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4871083 0.77 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL8285546 0.75 KMT2A (0.40) CNR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4871124 0.75 KDM4E (0.40) CNR1KDM4EALDH1A1HPGDCRHBP

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
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
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
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1697394-A2 COMT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-06 EP disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO 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 CNR1 978/4885EIF4A1 969/4885KDM4E 1075/4885

“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.