SCHEMBL3027726

SCHEMBL3027726

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2ncn[nH]2)c2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 12/20 0.37
▸ GRIN2B Q13224 12/20 0.37
▸ BACE1 P56817 2/20 0.35
▸ CTSD P07339 1/20 0.35
▸ AR P10275 1/20 0.35
▸ SCN9A Q15858 3/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ MAPK14 Q16539 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
SCHEMBL3031160 0.85 SLC6A7 (0.38) GRIN1GRIN2BBACE1CTSDSCN9A
SCHEMBL3040774 0.83 GRIN1 (0.40) GRIN1GRIN2BBACE1CTSDAR
SCHEMBL2785547 0.83 SLC11A2 (0.44) GRIN1GRIN2BBACE1CTSDSCN9A
SCHEMBL3037745 0.82 GRIN1 (0.39) GRIN1GRIN2BBACE1CTSDAR
SCHEMBL3027215 0.81 GRIN1 (0.39) GRIN1GRIN2BBACE1CTSDSCN9A
SCHEMBL2812633 0.81 BACE1 (0.42) GRIN1GRIN2BBACE1CTSDSCN9A
SCHEMBL2786317 0.81 BACE1 (0.38) GRIN1GRIN2BBACE1CTSDSCN9A
SCHEMBL3037421 0.80 GRIN1 (0.40) GRIN1GRIN2BBACE1CTSDAR
SCHEMBL3040418 0.78 BACE1 (0.37) GRIN1GRIN2BBACE1CTSDSCN9A
SCHEMBL12678482 0.76 GRIN1 (0.38) GRIN1GRIN2BMAPK14

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
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

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.

Send feedback