SCHEMBL2875628

SCHEMBL2875628

COCOc1cc2c(cc1N)[C@@H](NCCc1ccccc1)[C@H](O)C(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.43
KCNA5 P22460 7/20 0.43
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2008933 1.00 ABCB1 (0.43) ABCB1KCNA5KCNE1KCNQ1IDO1
SCHEMBL2008931 1.00 ABCB1 (0.43) ABCB1KCNA5KCNE1KCNQ1IDO1
SCHEMBL2007814 0.86 ABCB1 (0.51) ABCB1KCNA5IDO1CYP3A4CYP2D6
SCHEMBL2889446 0.86 ABCB1 (0.51) ABCB1KCNA5IDO1CYP3A4CYP2D6
SCHEMBL2875838 0.84 KCNA5 (0.42) ABCB1KCNA5
SCHEMBL2875841 0.84 KCNA5 (0.42) ABCB1KCNA5
SCHEMBL2012412 0.83 KCNA5 (0.39) ABCB1KCNA5
SCHEMBL2012416 0.83 KCNA5 (0.39) ABCB1KCNA5
SCHEMBL13476129 0.83 ABCB1 (0.48) ABCB1KCNA5IDO1
SCHEMBL12641484 0.82 KCNA5 (0.39) ABCB1KCNA5HTT

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-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 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-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ABCB1 580/4885KCNA5 67/4885KCNE1 71/4885

“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.