SCHEMBL12678482

SCHEMBL12678482

O=C1C(Cc2cc(F)cc(F)c2)c2cc(-c3cccc(C(F)(F)F)c3)ccc2N1c1ncn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 11/20 0.38
▸ GRIN2B Q13224 11/20 0.38
▸ CES2 O00748 2/20 0.34
▸ HTR7 P34969 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ F2R P25116 1/20 0.32

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
SCHEMBL8052859 0.83 GRIN1 (0.39) GRIN1GRIN2BCES2S1PR5
SCHEMBL8066849 0.82 CES2 (0.38) GRIN1GRIN2BCES2S1PR5
SCHEMBL12678485 0.80 GRIN1 (0.38) GRIN1GRIN2BCES2F2R
SCHEMBL8815186 0.80 GRIN2B (0.40) GRIN1GRIN2BCES2
SCHEMBL8813978 0.78 GRIN1 (0.37) GRIN1GRIN2BCES2
SCHEMBL3027726 0.76 GRIN1 (0.37) GRIN1GRIN2BMAPK14
SCHEMBL8815542 0.71 SLC6A7 (0.36) GRIN1GRIN2BCES2
SCHEMBL8066822 0.70 PGR (0.35) GRIN1GRIN2BCES2HTR7F2R
SCHEMBL12678475 0.69 SMN1; SMN2 (0.41) GRIN1GRIN2BCES2
SCHEMBL12678479 0.68 GRIN1 (0.36) GRIN1GRIN2BF2R

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 4 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 disclosed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — 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

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 109/4885CES2 2215/4885

“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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