SCHEMBL4418239

SCHEMBL4418239

COc1cc2c(c(OC)c1)C(N1CCOCC1)N(C(=O)c1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 8/20 0.51
MTNR1B P49286 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GRIN2D O15399 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FKBP1A P62942 2/20 0.40
PARP1 P09874 1/20 0.40
DRD1 P21728 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
SCHEMBL4418814 0.84 MTNR1B (0.48) GRIN2CMTNR1BFKBP1APARP1DRD1
SCHEMBL4422268 0.81 GRIN2C (0.55) GRIN2CMTNR1BCA12CA1CA2
SCHEMBL4416989 0.77 TRPV1 (0.46) GRIN2CMTNR1BFKBP1APARP1
SCHEMBL4423024 0.72 MTNR1B (0.48) GRIN2CMTNR1BCA12CA1CA2
SCHEMBL6509279 0.71 GRIN2C (0.52) GRIN2CMTNR1BCA12CA1CA2
SCHEMBL4425616 0.70 GRIN2C (0.49) GRIN2CMTNR1BCA12CA1CA2
SCHEMBL4411776 0.69 NPC1 (0.53) GRIN2CMTNR1BCA12CA1CA2
SCHEMBL4414665 0.69 GRIN2C (0.64) GRIN2CMTNR1BMEN1KMT2AFKBP1A
SCHEMBL4411732 0.69 GRIN2C (0.56) GRIN2CCA12CA1CA2CA7
SCHEMBL4412003 0.68 GRIN2C (0.55) 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 4 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

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 567/4885MTNR1B 569/4885CA12 2330/4885

“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.