SCHEMBL8815542

SCHEMBL8815542

O=C1C(Cc2cc(F)cc(F)c2)c2cc(-c3cccc(Cl)c3)ccc2N1c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 9/20 0.36
▸ PGR P06401 1/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ GRIN1 Q05586 3/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL12678468 0.90 ALOX5 (0.38) ALOX5GRIN1GRIN2BGRM2ROCK2
SCHEMBL12678475 0.89 SMN1; SMN2 (0.41) PGRALOX5GRIN1GRIN2BGRM2
SCHEMBL12678479 0.86 GRIN1 (0.36) PGRALOX5GRIN1GRIN2BGRM2
SCHEMBL8066822 0.84 PGR (0.35) PGRALOX5GRIN1GRIN2BGRM2
SCHEMBL8813509 0.83 PGR (0.37) PGRALOX5GRIN1GRIN2BGRM2
SCHEMBL12678472 0.83 ROCK2 (0.35) PGRALOX5GRIN1GRIN2BGRM2
SCHEMBL12678473 0.83 BACE1 (0.35) PGRALOX5GRIN1GRIN2BGRM2
SCHEMBL8063112 0.81 ALOX5 (0.40) PGRALOX5GRIN1GRIN2BGRM2
SCHEMBL12678469 0.80 SMN1; SMN2 (0.41) ALOX5GRIN1GRIN2BGRM2
SCHEMBL8066849 0.74 CES2 (0.38) PGRGRIN1GRIN2BROCK2CES2

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 5 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

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 1762/4885PGR 4426/4885SLC6A3 516/4885

“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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