SCHEMBL4412681

SCHEMBL4412681

COC(=O)c1cccc(NC(=O)N2CCc3cc(OC)cc(OC)c3C2c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.47
HTT P42858 1/20 0.42
GRIN2C Q14957 3/20 0.41
LHCGR P22888 3/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KLK7 P49862 1/20 0.40
POLB P06746 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
MTNR1B P49286 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13973159 0.88 LHCGR (0.49) GRIN2CLHCGRMTNR1B
SCHEMBL13972691 0.87 LHCGR (0.41) GRIN2CLHCGRNPC1POLBMTNR1B
SCHEMBL13972858 0.87 KMT2A (0.40) GRIN2CLHCGRTP53NPC1POLB
SCHEMBL4414611 0.85 LHCGR (0.49) HTTGRIN2CLHCGRTP53SMN1; SMN2
SCHEMBL4423047 0.85 GRIN2C (0.51) GRIN2CMTNR1BNPSR1
SCHEMBL4418264 0.84 MTNR1B (0.52) GRIN2CMTNR1BNPSR1
SCHEMBL4417027 0.84 MTNR1B (0.47) HTTGRIN2CNPC1RAB9AMTNR1B
SCHEMBL13973157 0.83 TAS1R3 (0.41) CFDSMN1; SMN2NPC1RAB9ATRPM8
SCHEMBL4413378 0.82 KMT2A (0.45) GRIN2CNPC1RAB9AMTNR1BNPSR1
SCHEMBL4413447 0.82 KMT2A (0.55) GRIN2CTP53NPSR1

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 CFD 3612/4885HTT 1037/4885GRIN2C 567/4885

“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.