SCHEMBL4411747

SCHEMBL4411747

COc1ccc(CC2c3c(cc(OC)cc3OC)CCN2C(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.66
GRIN2C Q14957 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MTNR1A P48039 1/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HCRTR1 O43613 1/20 0.45

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
Dimethylamine SCHEMBL9024883 0.83 CYP3A4 (0.56) MTNR1BCYP3A4CYP2D6CYP2C19BCHE
SCHEMBL151344 0.80 CYP3A4 (0.51) MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19
SCHEMBL145909 0.77 MTNR1B (0.50) MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19
SCHEMBL6545035 0.77 CYP3A4 (0.48) MTNR1BCYP3A4CYP2D6CYP2C19BCHE
SCHEMBL16627051 0.77 MTNR1B (0.61) MTNR1BCYP3A4CYP2D6CYP2C19MEN1
SCHEMBL16627050 0.76 MTNR1B (0.60) MTNR1BCYP3A4CYP2D6CYP2C19MEN1
SCHEMBL147825 0.74 CYP3A4 (0.45) MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19
SCHEMBL7899470 0.74 GRIN2C (1.00) GRIN2C
SCHEMBL13064945 0.74 LMNA (0.68) MTNR1BCYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4414665 0.74 GRIN2C (0.64) MTNR1BGRIN2CMEN1KMT2AGAA

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
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 US disclosed
EP-1489071-A1 N-substituted, 3,4-dihydro-1H-isoquinoline as potassium channels modulators 4SC AG (DE) 2004-12-22 EP 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-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 MTNR1B 569/4885GRIN2C 567/4885CYP3A4 172/4885

“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.