SCHEMBL3046601

SCHEMBL3046601

Cn1cnc(N2C(=O)C(C)(Cc3cncnc3)c3cc(-c4cccc(OC(F)(F)F)c4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ BACE1 P56817 3/20 0.38
▸ CTSD P07339 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.38
▸ RIPK1 Q13546 2/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ KCNH2 Q12809 7/20 0.35
▸ SLC6A9 P48067 6/20 0.35
▸ SLC6A5 Q9Y345 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TRPC5 Q9UL62 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL2805368 0.91 GRIN1 (0.34) GRIN1GRIN2BBACE1CTSD
SCHEMBL8802389 0.86 PIK3CD (0.34) GRIN1GRIN2BBACE1CTSDBACE2
SCHEMBL3043850 0.83 GRIN1 (0.41) GRIN1GRIN2BCYP2D6
SCHEMBL2805793 0.83 GRIN1 (0.38) GRIN1GRIN2BBACE1CTSDBACE2
SCHEMBL1852732 0.82 GRIN1 (0.34) GRIN1GRIN2BBACE1CTSD
SCHEMBL1850310 0.78 BACE1 (0.38) GRIN1GRIN2BBACE1CTSDBACE2
SCHEMBL3034171 0.75 PGR (0.40) GRIN1GRIN2BBACE1CTSD
SCHEMBL2807065 0.75 BACE1 (0.36) GRIN1GRIN2BBACE1
SCHEMBL3042061 0.74 SLC11A2 (0.44) GRIN1GRIN2BBACE1CTSDBACE2
SCHEMBL3027206 0.74 GRIN1 (0.43) GRIN1GRIN2BBACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US claimed
EP-2209373-B1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2012-05-23 — — EP claimed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US claimed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
EP-2209373-B1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2012-05-23 — — EP disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US disclosed
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — 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-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 GRIN1 134/4885GRIN2B 109/4885BACE1 236/4885

“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.

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