SCHEMBL4413402

SCHEMBL4413402

COc1cc2c(c(OC)c1)C(c1cc(Cl)cc(Cl)c1)N(C(=O)c1c(C)noc1C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.42
TSHR P16473 2/20 0.40
MTNR1B P49286 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GFER P55789 1/20 0.38
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PARP1 P09874 1/20 0.37
GAA P10253 1/20 0.36
FKBP1A P62942 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4422268 0.83 GRIN2C (0.55) GRIN2CMTNR1BTRPV1CA12CA1
SCHEMBL4415224 0.82 TSHR (0.40) GRIN2CTSHRMTNR1BRAB9ACA12
SCHEMBL4425691 0.81 GRIN2C (0.43) GRIN2CMTNR1BTRPV1CA12CA1
SCHEMBL13973333 0.81 GRIN2C (0.43) GRIN2CMTNR1BTRPV1CA12CA1
SCHEMBL4416993 0.81 GRIN2C (0.45) GRIN2CTSHRMTNR1BTRPV1CA12
SCHEMBL4423024 0.81 MTNR1B (0.48) GRIN2CMTNR1BTRPV1CA12CA1
SCHEMBL4416842 0.79 GRIN2C (0.43) GRIN2CMTNR1BTRPV1CA12CA1
SCHEMBL4414666 0.79 ALDH1A1 (0.40) CA1CA2CA9CA14MEN1
SCHEMBL4425616 0.79 GRIN2C (0.49) GRIN2CMTNR1BTRPV1CA12CA1
SCHEMBL4416795 0.78 GRIN2C (0.45) GRIN2CMTNR1BTRPV1CA12CA1

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 567/4885TSHR 230/4885MTNR1B 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.