SCHEMBL6504418

SCHEMBL6504418

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.40
HCRTR2 O43614 6/20 0.40
PARP1 P09874 1/20 0.40
MTNR1B P49286 3/20 0.38
DRD1 P21728 1/20 0.38
GRIN2C Q14957 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
MTNR1A P48039 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
FKBP1A P62942 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
Thiophene SCHEMBL6506783 0.95 HCRTR1 (0.37) HCRTR1HCRTR2PARP1MTNR1BDRD1
SCHEMBL6027512 0.86 HCRTR1 (0.41) HCRTR1HCRTR2PARP1MTNR1BDRD1
SCHEMBL4418264 0.83 MTNR1B (0.52) HCRTR1HCRTR2PARP1MTNR1BGRIN2C
SCHEMBL4417027 0.83 MTNR1B (0.47) HCRTR1HCRTR2PARP1MTNR1BGRIN2C
SCHEMBL4423047 0.81 GRIN2C (0.51) MTNR1BGRIN2CCA1CA2CA9
SCHEMBL4552332 0.81 TAS2R14 (0.49) HCRTR1HCRTR2CA1CA2CA9
SCHEMBL13972857 0.81 TAS2R14 (0.49) HCRTR1HCRTR2CA1CA2CA9
SCHEMBL4416192 0.81 GRIN2C (0.47) MTNR1BGRIN2CCA1CA2CA9
SCHEMBL4418256 0.81 KMT2A (0.52) GRIN2CCA1CA2CA9CA14
SCHEMBL4413447 0.81 KMT2A (0.55) GRIN2CCA1CA2CA9CA14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HCRTR1 281/4885HCRTR2 218/4885PARP1 4676/4885

“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.