SCHEMBL3021656

SCHEMBL3021656

Cn1cnc(CN2C(=O)C(C)(Cc3cc(F)cc(F)c3)c3cc(-c4cccc(C(F)(F)F)c4)ccc32)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 13/20 0.45
▸ GRIN2B Q13224 13/20 0.45
▸ CTSD P07339 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TEK Q02763 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
SCHEMBL2812633 0.81 BACE1 (0.42) GRIN1GRIN2BCTSDBACE1SCN9A
SCHEMBL3031160 0.78 SLC6A7 (0.38) GRIN1GRIN2BCTSDBACE1SCN9A
SCHEMBL2785547 0.76 SLC11A2 (0.44) GRIN1GRIN2BCTSDBACE1SCN9A
SCHEMBL3037745 0.76 GRIN1 (0.39) GRIN1GRIN2BCTSDBACE1
SCHEMBL3040774 0.75 GRIN1 (0.40) GRIN1GRIN2BCTSDBACE1SCN9A
SCHEMBL3027726 0.75 GRIN1 (0.37) GRIN1GRIN2BCTSDBACE1SCN9A
SCHEMBL3027215 0.75 GRIN1 (0.39) GRIN1GRIN2BCTSDBACE1SCN9A
SCHEMBL3021050 0.74 GRIN1 (0.37) GRIN1GRIN2B
SCHEMBL2786317 0.74 BACE1 (0.38) GRIN1GRIN2BCTSDBACE1SCN9A
SCHEMBL1949510 0.74 BACE1 (0.41) GRIN1GRIN2BCTSDBACE1KDR

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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US claimed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
EP-2205079-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP disclosed
WO-2009045381-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO disclosed
WO-2009045381-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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 GRIN1 134/4885GRIN2B 109/4885CTSD 858/4885

“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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