SCHEMBL3013786

SCHEMBL3013786

CC1(Cc2cncc(F)c2)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.53
▸ NR3C1 P04150 1/20 0.49
▸ NR3C2 P08235 1/20 0.49
▸ AR P10275 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ PIK3CD O00329 5/20 0.47
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42

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
SCHEMBL3019210 0.89 PGR (0.55) PGRNR3C1NR3C2AREPHX2
SCHEMBL8052840 0.89 PGR (0.55) PGRNR3C1NR3C2AREPHX2
SCHEMBL3014377 0.88 PGR (0.58) PGRNR3C1NR3C2AREPHX2
SCHEMBL8066741 0.79 PGR (0.53) PGREPHX2PIK3CDHDAC1HDAC8
SCHEMBL3023025 0.78 EPHX2 (0.53) PGREPHX2PIK3CDHDAC1HDAC8
SCHEMBL12233708 0.78 HDAC1 (0.52) PGRNR3C1NR3C2AREPHX2
SCHEMBL3010046 0.77 PGR (0.68) PGREPHX2PIK3CDHDAC1HDAC8
SCHEMBL3016234 0.76 PGR (0.77) PGREPHX2PIK3CD
SCHEMBL3020687 0.75 PGR (0.76) PGREPHX2PIK3CD
SCHEMBL3009310 0.75 PGR (0.48) PGREPHX2PIK3CDHDAC1HDAC8

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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US claimed
EP-2205079-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP claimed
WO-2009045381-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — 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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 PGR 4426/4885NR3C1 942/4885NR3C2 739/4885

“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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