SCHEMBL1950191

SCHEMBL1950191

CC1(Cc2cncnc2)C(=O)NCc2ccc(-c3cccc(Oc4ccccc4)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ PGR P06401 2/20 0.41
▸ PIK3CD O00329 8/20 0.40
▸ OTUD7B Q6GQQ9 1/20 0.35
▸ GRIN2D O15399 2/20 0.35
▸ GRIN3B O60391 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN2C Q14957 2/20 0.35
▸ GRIN3A Q8TCU5 2/20 0.35
▸ TRPV6 Q9H1D0 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ BUB1 O43683 1/20 0.34

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
SCHEMBL1951320 0.87 OTUD7B (0.39) EPHX2OTUD7BGRIN1GRIN2B
SCHEMBL1950759 0.85 PGR (0.41) EPHX2PGRPIK3CDOTUD7BFFAR4
SCHEMBL1852299 0.85 EPHX2 (0.36) EPHX2PGRPIK3CDGRIN1GRIN2B
SCHEMBL3019951 0.85 PGR (0.58) EPHX2PGRPIK3CD
SCHEMBL1856641 0.84 EPHX2 (0.38) EPHX2PGRPIK3CDOTUD7BTRPV6
SCHEMBL1949290 0.82 GRIN1 (0.43) EPHX2PGRPIK3CDGRIN1GRIN2B
SCHEMBL1949201 0.79 PGR (0.35) EPHX2PGRPIK3CDOTUD7BFFAR4
SCHEMBL1949443 0.77 CACNA1B (0.42) EPHX2PGRPIK3CDGRIN1GRIN2B
SCHEMBL3016588 0.72 PGR (0.51) EPHX2PGRPIK3CDOTUD7B
SCHEMBL1849671 0.71 GRIN1 (0.39) OTUD7BGRIN1GRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US claimed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US disclosed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US disclosed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — 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-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers CACNA1D, TRPV1, CACNA1S EPHX2 4273/4885PGR 4650/4885PIK3CD 1721/4885

“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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