SCHEMBL6760946

SCHEMBL6760946

O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)Nc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.63
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 6/20 0.54
MAPT P10636 3/20 0.54
NOS2 P35228 1/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
THRB P10828 1/20 0.50
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49

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
SCHEMBL6646339 0.84 GRIN2B (0.67) GRIN2BCA1CA2CA7CA9
SCHEMBL1554384 0.83 GRIN2B (0.71) GRIN2BMEN1KMT2AHTTMAPT
SCHEMBL14101795 0.82 CA1 (0.61) GRIN2BCA1CA2CA7CA9
SCHEMBL2467145 0.81 ALDH1A1 (0.61) GRIN2BMEN1KMT2AHTTALDH1A1
SCHEMBL5183393 0.80 MEN1 (0.56) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL26783053 0.80 MEN1 (0.62) GRIN2BCA1CA2CA7CA9
SCHEMBL27586589 0.80 MEN1 (0.62) GRIN2BCA1CA2CA7CA9
SCHEMBL5551797 0.80 MEN1 (0.62) GRIN2BCA1CA2CA7CA9
SCHEMBL14369158 0.80 CA1 (0.65) CA1CA2CA7CA9MEN1
SCHEMBL7589956 0.80 CA1 (0.65) GRIN2BCA1CA2CA7CA9

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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 GRIN2B 512/4885CA1 4033/4885CA2 1192/4885

“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.