SCHEMBL8066822

SCHEMBL8066822

O=C1C(Cc2cc(F)cc(F)c2)c2cc(-c3cccc(Cl)c3)ccc2N1c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.35
▸ GRIN1 Q05586 3/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ ROCK2 O75116 3/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ F2R P25116 3/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31

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
SCHEMBL12678475 0.85 SMN1; SMN2 (0.41) PGRGRIN1GRIN2BROCK2ALOX5
SCHEMBL8813509 0.85 PGR (0.37) PGRGRIN1GRIN2BROCK2ALOX5
SCHEMBL12678479 0.84 GRIN1 (0.36) PGRGRIN1GRIN2BROCK2ALOX5
SCHEMBL12678472 0.83 ROCK2 (0.35) PGRGRIN1GRIN2BROCK2ALOX5
SCHEMBL12678473 0.83 BACE1 (0.35) PGRGRIN1GRIN2BROCK2ALOX5
SCHEMBL8063112 0.80 ALOX5 (0.40) PGRGRIN1GRIN2BALOX5GRM2
SCHEMBL12678469 0.76 SMN1; SMN2 (0.41) GRIN1GRIN2BALOX5GRM2
SCHEMBL2787392 0.75 PGR (0.44) PGRGRIN1GRIN2B
SCHEMBL12678468 0.74 ALOX5 (0.38) GRIN1GRIN2BROCK2ALOX5GRM2
SCHEMBL12678449 0.71 BACE1 (0.35) PGRGRIN1GRIN2BROCK2ALOX5

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 6 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
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
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 PGR 4426/4885GRIN1 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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