SCHEMBL4418463

SCHEMBL4418463

COc1cc2c(c(OC)c1)C(c1ccco1)N(C(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 5/20 0.53
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FKBP1A P62942 1/20 0.40

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
SCHEMBL4425647 0.89 GRIN2C (0.47) GRIN2CMTNR1BALDH1A1MAPTHPGD
SCHEMBL4418806 0.85 GRIN2C (0.49) GRIN2CMTNR1BALDH1A1MAPTHPGD
SCHEMBL4416858 0.85 GRIN2C (0.56) GRIN2CMEN1KMT2A
SCHEMBL4412003 0.84 GRIN2C (0.55) GRIN2CTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4423031 0.83 NPC1 (0.53) GRIN2CMTNR1BALDH1A1MAPTHPGD
SCHEMBL4416759 0.82 GRIN2C (0.53) GRIN2CMEN1KMT2A
SCHEMBL4418766 0.82 MTNR1B (0.51) GRIN2CMTNR1BALDH1A1MAPTHPGD
SCHEMBL4421922 0.79 KMT2A (0.46) GRIN2CMTNR1BALDH1A1MAPTHPGD
SCHEMBL4413414 0.77 HTT (0.43) GRIN2CMTNR1BALDH1A1MAPTHPGD
SCHEMBL4417014 0.77 MTNR1B (0.44) GRIN2CMTNR1BALDH1A1MAPTHPGD

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 2 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

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 567/4885TAS1R3 669/4885TAS1R1 1087/4885

“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.