SCHEMBL4416993

SCHEMBL4416993

COc1cc2c(c(OC)c1)C(c1cc(Cl)cc(Cl)c1)N(C(=O)c1ccno1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.45
TRPV1 Q8NER1 2/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FKBP1A P62942 4/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
PARP1 P09874 1/20 0.37

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
SCHEMBL4425728 0.89 GRIN2C (0.43) GRIN2CTRPV1MTNR1BMEN1KMT2A
SCHEMBL4422268 0.83 GRIN2C (0.55) GRIN2CTRPV1MTNR1BMEN1KMT2A
SCHEMBL4416972 0.83 GRIN2C (0.41) GRIN2CMTNR1BMEN1KMT2ACA12
SCHEMBL4423024 0.81 MTNR1B (0.48) GRIN2CTRPV1MTNR1BMEN1KMT2A
SCHEMBL4411776 0.81 NPC1 (0.53) GRIN2CMTNR1BMEN1KMT2ACA12
SCHEMBL4413402 0.81 GRIN2C (0.42) GRIN2CTRPV1MTNR1BMEN1KMT2A
SCHEMBL4416128 0.80 TRPV1 (0.46) GRIN2CTRPV1MTNR1BMEN1KMT2A
SCHEMBL4425616 0.80 GRIN2C (0.49) GRIN2CTRPV1MTNR1BMEN1KMT2A
SCHEMBL13972692 0.79 GRIN2C (0.47) GRIN2CTRPV1MTNR1BMEN1KMT2A
SCHEMBL6506733 0.79 GRIN2C (0.47) GRIN2CTRPV1MTNR1BMEN1KMT2A

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 5 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-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 567/4885TRPV1 71/4885MTNR1B 569/4885

“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.