SCHEMBL8063112

SCHEMBL8063112

COc1cccc(N2C(=O)C(Cc3cc(F)cc(F)c3)c3cc(-c4cccc(Cl)c4)ccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.40
▸ PGR P06401 2/20 0.36
▸ CHRM5 P08912 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ HPSE Q9Y251 1/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ KDR P35968 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ TEK Q02763 1/20 0.32
▸ HCRTR1 O43613 2/20 0.31
▸ HCRTR2 O43614 2/20 0.31
▸ CES2 O00748 2/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ AVPR1A P37288 1/20 0.30
▸ NR1H2 P55055 1/20 0.30

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
SCHEMBL12678473 0.86 BACE1 (0.35) ALOX5PGRGRM2CLK4GRIN1
SCHEMBL12678475 0.84 SMN1; SMN2 (0.41) ALOX5PGRGRM2CLK4GRIN1
SCHEMBL8813509 0.81 PGR (0.37) ALOX5PGRGRM2CLK4GRIN1
SCHEMBL8066822 0.80 PGR (0.35) ALOX5PGRGRM2CLK4GRIN1
SCHEMBL12678479 0.80 GRIN1 (0.36) ALOX5PGRGRM2CLK4GRIN1
SCHEMBL12678472 0.80 ROCK2 (0.35) ALOX5PGRGRM2CLK4GRIN1
SCHEMBL3031400 0.77 PGR (0.39) PGRCLK4HPSEGRIN1GRIN2B
SCHEMBL12678469 0.75 SMN1; SMN2 (0.41) ALOX5GRM2GRIN1GRIN2B
SCHEMBL12678468 0.71 ALOX5 (0.38) ALOX5GRM2GRIN1GRIN2B
SCHEMBL12678449 0.68 BACE1 (0.35) ALOX5PGRGRM2CLK4GRIN1

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
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 ALOX5 580/4885PGR 4426/4885CHRM5 240/4885

“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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