SCHEMBL3031553

SCHEMBL3031553

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2ccccn2)c2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ PGR P06401 5/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ AR P10275 1/20 0.35
▸ SUCNR1 Q9BXA5 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ CD274 Q9NZQ7 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
SCHEMBL8063130 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3031304 0.91 PGR (0.43) ITGB2ICAM1ITGALPGREGLN1
SCHEMBL2784445 0.90 ITGB2 (0.41) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3046626 0.88 SUCNR1 (0.37) ITGB2ICAM1ITGALARSUCNR1
SCHEMBL3040619 0.85 PGR (0.37) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3028215 0.85 PGR (0.39) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3034924 0.84 ITGB2 (0.43) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL2784155 0.84 PIK3CA (0.36) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL2785547 0.84 SLC11A2 (0.44) GRIN1GRIN2BCD274
SCHEMBL3037812 0.82 ITGB2 (0.37) ITGB2ICAM1ITGALPGRNR3C1

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 ITGB2 1204/4885ICAM1 720/4885ITGAL 904/4885

“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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