SCHEMBL3033345

SCHEMBL3033345

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2cnccn2)c2ccc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.40
▸ ITGB2 P05107 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ ITGAL P20701 1/20 0.38
▸ GRIN1 Q05586 3/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ BACE1 P56817 4/20 0.34
▸ CTSD P07339 3/20 0.33
▸ CLK4 Q9HAZ1 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
SCHEMBL3031304 0.89 PGR (0.43) PGRITGB2ICAM1ITGALGRIN1
SCHEMBL2785053 0.87 PGR (0.39) PGRITGB2ICAM1ITGALGRIN1
SCHEMBL3040098 0.86 PGR (0.43) PGRITGB2ICAM1ITGALGRIN1
SCHEMBL8810824 0.86 PGR (0.43) PGRITGB2ICAM1ITGALGRIN1
SCHEMBL3037435 0.86 PGR (0.39) PGRITGB2ICAM1ITGALGRIN1
SCHEMBL2787392 0.84 PGR (0.44) PGRITGB2ICAM1ITGALGRIN1
SCHEMBL3034171 0.84 PGR (0.40) PGRITGB2ICAM1ITGALGRIN1
SCHEMBL8808686 0.83 PGR (0.41) PGRITGB2ICAM1ITGALBACE1
SCHEMBL2786604 0.83 PGR (0.41) PGRITGB2ICAM1ITGALBACE1
SCHEMBL3031400 0.82 PGR (0.39) PGRITGB2ICAM1ITGALGRIN1

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 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
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 PGR 4426/4885ITGB2 1204/4885ICAM1 720/4885

“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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