SCHEMBL4424502

SCHEMBL4424502

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(C(=O)c1ccc(F)cc1F)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 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
GRIN2C Q14957 4/20 0.41
FKBP1A P62942 1/20 0.40
LMNA P02545 1/20 0.40
MTNR1B P49286 1/20 0.40
CPS1 P31327 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL4418261 0.87 MTNR1B (0.41) NPSR1TP53KMT2AMEN1CA12
SCHEMBL13973157 0.86 TAS1R3 (0.41) NPSR1TRPV1KMT2AFKBP1AMTNR1B
SCHEMBL4423047 0.86 GRIN2C (0.51) NPSR1KMT2AMEN1CA12CA1
SCHEMBL4418256 0.85 KMT2A (0.52) NPSR1KMT2AMEN1CA12CA1
SCHEMBL4413447 0.85 KMT2A (0.55) NPSR1TP53KMT2AMEN1CA12
SCHEMBL4416192 0.85 GRIN2C (0.47) NPSR1KMT2AMEN1CA12CA1
SCHEMBL4418264 0.85 MTNR1B (0.52) NPSR1TRPV1KMT2AMEN1GRIN2C
SCHEMBL4417027 0.85 MTNR1B (0.47) NPSR1TRPV1KMT2AMEN1CA12
SCHEMBL6509279 0.83 GRIN2C (0.52) NPSR1KMT2AMEN1CA12CA1
SCHEMBL4416128 0.83 TRPV1 (0.46) TP53RXFP1TRPV1KMT2AMEN1

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 NPSR1 155/4885TP53 4194/4885RXFP1 852/4885

“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.