SCHEMBL3040094

SCHEMBL3040094

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2ncccn2)c2ccc(-c3ccc(F)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ITGAL P20701 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ PIK3CD O00329 8/20 0.34
▸ ELANE P08246 1/20 0.32
▸ SLC6A7 Q99884 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ ROCK2 O75116 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
SCHEMBL3047154 0.92 ITGB2 (0.38) ITGB2ICAM1ITGALPIK3CDPGR
SCHEMBL2784445 0.89 ITGB2 (0.41) ITGB2ICAM1ITGALPIK3CDPGR
SCHEMBL8810824 0.89 PGR (0.43) ITGB2ICAM1ITGALSLC6A7PGR
SCHEMBL3040098 0.89 PGR (0.43) ITGB2ICAM1ITGALSLC6A7PGR
SCHEMBL3041111 0.89 DRD2 (0.38) ITGB2ICAM1ITGALDRD2DRD4
SCHEMBL3037370 0.87 SUCNR1 (0.38) ITGB2ICAM1ITGAL
SCHEMBL3031160 0.87 SLC6A7 (0.38) SLC6A7
SCHEMBL3038782 0.83 ITGB2 (0.34) ITGB2ICAM1ITGALPIK3CD
SCHEMBL3033244 0.80 GRIN1 (0.41) ITGB2ICAM1ITGALPIK3CD
SCHEMBL3031304 0.79 PGR (0.43) ITGB2ICAM1ITGALPGREGLN1

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 12 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
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
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
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 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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