SCHEMBL3031160

SCHEMBL3031160

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2ncccn2)c2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 1/20 0.38
▸ GRIN1 Q05586 9/20 0.38
▸ GRIN2B Q13224 9/20 0.38
▸ SCN9A Q15858 6/20 0.37
▸ CTSD P07339 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ SLC11A2 P49281 1/20 0.36
▸ TGFBR1 P36897 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
SCHEMBL2785547 0.90 SLC11A2 (0.44) GRIN1GRIN2BSCN9ACTSDBACE1
SCHEMBL3038782 0.88 ITGB2 (0.34) SCN9ABACE1
SCHEMBL3037745 0.88 GRIN1 (0.39) GRIN1GRIN2BCTSDBACE1CYP2C9
SCHEMBL3040094 0.87 ITGB2 (0.37) SLC6A7
SCHEMBL3037370 0.87 SUCNR1 (0.38) GRIN1GRIN2B
SCHEMBL3027215 0.87 GRIN1 (0.39) GRIN1GRIN2BSCN9ACTSDBACE1
SCHEMBL8810824 0.87 PGR (0.43) SLC6A7GRIN1GRIN2BCTSDBACE1
SCHEMBL3040098 0.87 PGR (0.43) SLC6A7GRIN1GRIN2BCTSDBACE1
SCHEMBL3037421 0.86 GRIN1 (0.40) GRIN1GRIN2BCTSDBACE1CYP2C9
SCHEMBL3047154 0.85 ITGB2 (0.38) GRIN1GRIN2BSCN9A

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 SLC6A7 1762/4885GRIN1 134/4885GRIN2B 109/4885

“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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