SCHEMBL4418264

SCHEMBL4418264

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.52
GRIN2C Q14957 3/20 0.44
TSHR P16473 1/20 0.42
HCRTR2 O43614 2/20 0.41
KMT2A Q03164 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TACR1 P25103 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
SCHEMBL4417027 0.92 MTNR1B (0.47) MTNR1BGRIN2CHCRTR2KMT2ATRPV1
SCHEMBL4423047 0.90 GRIN2C (0.51) MTNR1BGRIN2CKMT2AMEN1LMNA
SCHEMBL4416192 0.89 GRIN2C (0.47) MTNR1BGRIN2CKMT2AMEN1LMNA
SCHEMBL4413447 0.89 KMT2A (0.55) GRIN2CKMT2AMEN1LMNANPSR1
SCHEMBL4418256 0.89 KMT2A (0.52) GRIN2CKMT2AMEN1LMNANPSR1
SCHEMBL4421033 0.87 MTNR1B (0.41) MTNR1BGRIN2CKMT2ATRPV1MEN1
SCHEMBL6509279 0.87 GRIN2C (0.52) MTNR1BGRIN2CKMT2AMEN1LMNA
SCHEMBL4416759 0.86 GRIN2C (0.53) GRIN2CKMT2AMEN1LMNANPSR1
SCHEMBL4414983 0.86 GRIN2C (0.43) MTNR1BGRIN2CKMT2ATRPV1MEN1
SCHEMBL4413378 0.86 KMT2A (0.45) MTNR1BGRIN2CKMT2AMEN1LMNA

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 3 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
EP-1489071-A1 N-substituted, 3,4-dihydro-1H-isoquinoline as potassium channels modulators 4SC AG (DE) 2004-12-22 EP 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 MTNR1B 569/4885GRIN2C 567/4885TSHR 230/4885

“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.