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SCHEMBL949486

SCHEMBL949486

CC(C)(C)OC(=O)[C@@H]1CCCN2CCC[C@H](N)C(=O)N12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ DPP4 P27487 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
SCHEMBL949485 1.00 CASP3 (0.39) CASP3HSD17B10ROCK2NPC1EPHX2
SCHEMBL644711 0.82 ACE (0.40) CASP3HSD17B10ROCK2NPC1PARP1
SCHEMBL949749 0.82 ACE (0.40) CASP3HSD17B10ROCK2NPC1PARP1
SCHEMBL10565831 0.82 ACE (0.44) CASP3HSD17B10ROCK2NPC1EPHX2
SCHEMBL3731407 0.81 LTA4H (0.36) CASP3CYP3A4TSHRTDP1MAPT
SCHEMBL13260166 0.81 LTA4H (0.36) CASP3CYP3A4TSHRTDP1MAPT
SCHEMBL10248857 0.79 CASP3 (0.38) CASP3HSD17B10ROCK2NPC1EPHX2
SCHEMBL10201273 0.79 CASP3 (0.38) CASP3HSD17B10ROCK2NPC1EPHX2
SCHEMBL8318471 0.78 ACE (0.44) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL645595 0.78 ACE (0.44) CYP3A4TSHRTDP1MAPTAPEX1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003134-A1 A NOVEL PROCESS FOR THE PREPARATION OF CILAZAPRIL HETERO DRUGS LIMITED (IN) 2005-01-13 — — WO claimed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 — — EP disclosed
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 — — US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 — — EP disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 — — US disclosed
WO-2005003134-A1 A NOVEL PROCESS FOR THE PREPARATION OF CILAZAPRIL HETERO DRUGS LIMITED (IN) 2005-01-13 — — WO disclosed
WO-2005003134-A1 A NOVEL PROCESS FOR THE PREPARATION OF CILAZAPRIL HETERO DRUGS LIMITED (IN) 2005-01-13 — — WO disclosed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 — — US disclosed
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 — — US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 — — US disclosed
US-6420522-B1 ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2002-07-16 — — US disclosed
US-6258948-B1 AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED 2001-07-10 — — US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 — — US disclosed
US-4782149-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVES HOFFMAN-LA ROCHE INC. (US) 1988-11-01 — — US disclosed
US-4757069-A Hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1988-07-12 — — 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 (7 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP3 542/4885HSD17B10 816/4885ROCK2 1830/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN CASP3 555/4885HSD17B10 820/4885ROCK2 1780/4885
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP3 85/4885HSD17B10 1135/4885ROCK2 2383/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP3 67/4885HSD17B10 925/4885ROCK2 2566/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP3 542/4885HSD17B10 816/4885ROCK2 1830/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B CASP3 75/4885HSD17B10 924/4885ROCK2 2749/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP3 542/4885HSD17B10 816/4885ROCK2 1830/4885

“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.