SCHEMBL4933041

SCHEMBL4933041

O=C(O)N1CCC(CNc2cncc(-c3ccncc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP3A4 P08684 3/20 0.47
MAPT P10636 1/20 0.42
GSK3B P49841 1/20 0.42
VCP P55072 2/20 0.41
KDM4C Q9H3R0 3/20 0.41
MKNK1 Q9BUB5 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
TP53BP1 Q12888 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL4930886 0.87 ALDH1A1 (0.46) GRIN2BCYP2D6CYP2C9CYP3A4MAPT
SCHEMBL4933145 0.84 GPR119 (0.51) GRIN2BCYP2D6CYP2C9CYP3A4USP30
SCHEMBL20775269 0.84 GRIN2B (0.66) GRIN2BCYP2D6CYP2C9CYP3A4KDM4C
SCHEMBL4930989 0.84 MKNK1 (0.44) MAPTGSK3BVCPKDM4CMKNK1
SCHEMBL4148646 0.80 KDM4C (0.45) MAPTGSK3BVCPKDM4CMKNK1
SCHEMBL4925453 0.78 ROCK2 (0.45) MAPTGSK3BMKNK1
SCHEMBL4930924 0.75 CYP2C9 (0.50) CYP2C9USP30
SCHEMBL3650096 0.74 GRIN2B (0.56) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL15205760 0.74 GRIN2B (0.42) GRIN2BCYP2D6CYP2C9CYP3A4MAPT
SCHEMBL14720234 0.72 GRIN2B (0.64) GRIN2BCYP2D6CYP2C9CYP3A4EPHX2

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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes GALAPAGOS NV (BE) 2008-08-14 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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes ROCK1, TNK2, GRK1 GRIN2B 1201/4885CYP2D6 2175/4885CYP2C9 1971/4885

“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.