SCHEMBL6646339

SCHEMBL6646339

O=C(OCc1ccccc1)N1CCN(CCNc2ccccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.67
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP3A4 P08684 2/20 0.53
ACKR3 P25106 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
NOS2 P35228 1/20 0.50
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TNKS O95271 1/20 0.47
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47

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
SCHEMBL6760946 0.84 GRIN2B (0.63) GRIN2BCYP2D6CYP2C9CYP3A4CA1
SCHEMBL5352852 0.80 GRIN2B (1.00) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL6642926 0.80 CA1 (0.58) ACKR3CA1CA2CA7CA9
SCHEMBL17485677 0.78 KDM4E (0.74) GRIN2BMEN1KMT2ANPSR1ALDH1A1
SCHEMBL6644070 0.78 CA1 (0.56) GRIN2BACKR3CA1CA2CA7
SCHEMBL26025031 0.78 CA1 (0.61) ACKR3CA1CA2CA7CA9
SCHEMBL10244085 0.78 CA1 (0.56) ACKR3CA1CA2CA7CA9
SCHEMBL92564 0.77 MEN1 (0.61) CA1CA2CA7CA9MEN1
SCHEMBL1554384 0.76 GRIN2B (0.71) GRIN2BCYP2D6CYP2C9CYP3A4NOS2
SCHEMBL4814264 0.76 MEN1 (0.76) GRIN2BCYP2D6CYP2C9MEN1KMT2A

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-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

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 GRIN2B 512/4885CYP2D6 635/4885CYP2C9 951/4885

“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.