SCHEMBL2812633

SCHEMBL2812633

CN1C(=O)C(C)(Cc2cc(F)cc(F)c2)c2cc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.42
▸ CTSD P07339 1/20 0.42
▸ MAOB P27338 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ GRIN1 Q05586 5/20 0.37
▸ GRIN2B Q13224 5/20 0.37
▸ RORC P51449 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ SLC13A5 Q86YT5 1/20 0.35

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
SCHEMBL3003238 0.85 PGR (0.47) BACE1CTSDPIK3CDGRIN1GRIN2B
SCHEMBL3031160 0.84 SLC6A7 (0.38) BACE1CTSDGRIN1GRIN2BSCN9A
SCHEMBL1949510 0.84 BACE1 (0.41) BACE1CTSDMAOBGRIN1GRIN2B
SCHEMBL3037745 0.84 GRIN1 (0.39) BACE1CTSDGRIN1GRIN2B
SCHEMBL3040774 0.83 GRIN1 (0.40) BACE1CTSDGRIN1GRIN2BSCN9A
SCHEMBL2785547 0.82 SLC11A2 (0.44) BACE1CTSDGRIN1GRIN2BSCN9A
SCHEMBL3037421 0.81 GRIN1 (0.40) BACE1CTSDGRIN1GRIN2B
SCHEMBL3021656 0.81 GRIN1 (0.45) BACE1CTSDGRIN1GRIN2BSCN9A
SCHEMBL1950808 0.81 ASIC3 (0.39) BACE1CTSDMAOBGRIN1GRIN2B
SCHEMBL3027726 0.81 GRIN1 (0.37) BACE1CTSDGRIN1GRIN2BSCN9A

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 8 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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US claimed
EP-2209373-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP claimed
EP-2205079-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP claimed
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
WO-2009045381-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 BACE1 236/4885CTSD 858/4885MAOB 258/4885
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 BACE1 236/4885CTSD 858/4885MAOB 258/4885

“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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