SCHEMBL3040418

SCHEMBL3040418

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2cncc(N)n2)c2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.37
▸ CTSD P07339 2/20 0.37
▸ GRIN1 Q05586 10/20 0.36
▸ GRIN2B Q13224 10/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ XDH P47989 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 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
SCHEMBL3037435 0.88 PGR (0.39) BACE1CTSDGRIN1GRIN2BPGR
SCHEMBL3041430 0.88 ITGB2 (0.32) BACE1CTSD
SCHEMBL3027215 0.87 GRIN1 (0.39) BACE1CTSDGRIN1GRIN2BBACE2
SCHEMBL2786317 0.86 BACE1 (0.38) BACE1CTSDGRIN1GRIN2BBACE2
SCHEMBL3040774 0.84 GRIN1 (0.40) BACE1CTSDGRIN1GRIN2BBACE2
SCHEMBL2785547 0.83 SLC11A2 (0.44) BACE1CTSDGRIN1GRIN2BSCN9A
SCHEMBL3037745 0.83 GRIN1 (0.39) BACE1CTSDGRIN1GRIN2BNR3C1
SCHEMBL3037421 0.82 GRIN1 (0.40) BACE1CTSDGRIN1GRIN2BCYP11B1
SCHEMBL3031160 0.82 SLC6A7 (0.38) BACE1CTSDGRIN1GRIN2BSCN9A
SCHEMBL2812633 0.80 BACE1 (0.42) 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 7 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
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
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 BACE1 236/4885CTSD 858/4885GRIN1 134/4885

“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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