SCHEMBL6669910

SCHEMBL6669910

C=CCN([C]=O)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KMT2A Q03164 3/20 0.33
SLC6A2 P23975 2/20 0.33
HTT P42858 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL1185718 0.77 CYP2D6 (0.44) CYP2D6CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL13740973 0.77 CYP2D6 (0.52) CYP2D6CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL175241 0.77 CHRM2 (0.44) CYP2D6CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL7029513 0.77 POLB (0.37) POLB
SCHEMBL9278864 0.75 CYP2D6 (0.42) CYP2D6CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL8191765 0.75 CYP2D6 (0.46) CYP2D6CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL3751753 0.75 ALDH1A1 (0.54) CYP2C19ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL4070519 0.74 CYP2D6 (0.49) CYP2D6CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL9302381 0.74 CYP2D6 (0.41) CYP2D6CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL9300866 0.74 CYP2D6 (0.41) CYP2D6CYP2C19ALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 US claimed
EP-1373247-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2004-01-02 EP claimed
WO-2002079189-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2002-10-10 WO claimed
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 US disclosed
EP-1373247-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2004-01-02 EP disclosed
WO-2002079189-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2002-10-10 WO disclosed
EP-0741697-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 CYP2D6 635/4885CYP2C19 900/4885ALDH1A1 1229/4885

“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.