SCHEMBL4412003

SCHEMBL4412003

COc1cc2c(c(OC)c1)C(c1cc(Cl)cc(Cl)c1)N(C(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 8/20 0.55
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GRIN2D O15399 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4416858 0.90 GRIN2C (0.56) GRIN2CCA12CA1CA2CA7
SCHEMBL4414956 0.89 GRIN2C (0.54) GRIN2CCA12CA1CA2CA7
SCHEMBL4416759 0.86 GRIN2C (0.53) GRIN2CCA12CA1CA2CA7
SCHEMBL4411732 0.85 GRIN2C (0.56) GRIN2CCA12CA1CA2CA7
SCHEMBL4422268 0.85 GRIN2C (0.55) GRIN2CCA12CA1CA2CA7
SCHEMBL4418463 0.84 GRIN2C (0.53) GRIN2CTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4411776 0.82 NPC1 (0.53) GRIN2CCA12CA1CA2CA7
SCHEMBL6509279 0.82 GRIN2C (0.52) GRIN2CCA12CA1CA2CA7
SCHEMBL13972637 0.81 GRIN2C (0.47) GRIN2CCA12CA1CA2CA7
SCHEMBL4422046 0.81 GRIN2C (0.51) GRIN2CCA12CA1CA2CA7

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.