SCHEMBL4422963

SCHEMBL4422963

COc1cc2c(c(OC)c1)C(c1ccc(O)cc1)N(C(=O)c1cccc3ccccc13)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.47
NR1D1 P20393 4/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FKBP1A P62942 1/20 0.41
GAA P10253 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL4424076 0.84 GRIN2C (0.45) GRIN2CMTNR1BCA12CA1CA2
SCHEMBL4423041 0.83 GRIN2C (0.54) GRIN2CMTNR1BABCG2CA12CA1
SCHEMBL4414980 0.81 KMT2A (0.60) GRIN2CMTNR1BABCG2CA12CA1
SCHEMBL4423052 0.81 GRIN2C (0.57) GRIN2CMTNR1BCA12CA1CA2
SCHEMBL4416816 0.80 GRIN2C (0.44) GRIN2CMTNR1BALDH1A1CA12CA1
SCHEMBL4424160 0.79 GRIN2C (0.47) GRIN2CMTNR1BALDH1A1ABCG2CA12
SCHEMBL13972856 0.79 GRIN2C (0.53) GRIN2CMTNR1BLMNAMEN1KMT2A
SCHEMBL6505155 0.79 GRIN2C (0.53) GRIN2CMTNR1BLMNAMEN1KMT2A
SCHEMBL4416858 0.78 GRIN2C (0.56) GRIN2CABCG2CA12CA1CA2
SCHEMBL4412546 0.78 GRIN2C (0.49) GRIN2CMTNR1BCA12CA1CA2

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 5 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
EP-1663983-A1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2006-06-07 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 US disclosed
WO-2004113302-A1 N-SUBSTITUTED 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2004-12-29 WO 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 GRIN2C 567/4885NR1D1 896/4885MTNR1B 569/4885

“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.