SCHEMBL6848672

SCHEMBL6848672

O=C1Cc2cc(CO)c(CO)cc2CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
CRBN Q96SW2 1/20 0.34
PARP10 Q53GL7 8/20 0.34
PARP1 P09874 5/20 0.34
PARP11 Q9NR21 4/20 0.34
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ADCY6 O43306 1/20 0.31
ADCY3 O60266 1/20 0.31
ADCY9 O60503 1/20 0.31
ADCY5 O95622 1/20 0.31
ADCY8 P40145 1/20 0.31
ADCY7 P51828 1/20 0.31
ADCY2 Q08462 1/20 0.31
ADCY1 Q08828 1/20 0.31
ADCY4 Q8NFM4 1/20 0.31

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
SCHEMBL9739179 0.76 PARP10 (0.41) GRIA1CRBNPARP10PARP1PARP11
SCHEMBL9739665 0.75 KDM4E (0.60) CRBNPARP10PARP1PARP11KDM4E
SCHEMBL15471727 0.75 KDM4E (0.56) PARP10PARP1PARP11KDM4EF7
SCHEMBL12354602 0.73 CYP2A6 (0.43) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL5040462 0.71 DRD2 (0.55) PARP10PARP1PARP11F7F3
SCHEMBL24795 0.71 CYP3A4 (0.52) KDM4EMTNR1AMTNR1BDRD4
SCHEMBL5048666 0.71 DRD2 (0.56) PARP10PARP1F7F3DRD2
SCHEMBL30468509 0.71 DRD2 (0.55) PARP10PARP1PARP11F7F3
SCHEMBL16140065 0.71 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4
SCHEMBL19983360 0.71 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4KDM4E

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
US-20120172589-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-07-05 US disclosed
US-20120172589-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-07-05 US disclosed
WO-2011033194-A1 NOVEL METHOD FOR SYNTHESIZING IVABRADINE AND THE ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2011-03-24 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-20120172589-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 GRIA1 1749/4885GRIA2 1470/4885GRIA3 2782/4885

“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.