SCHEMBL645568

SCHEMBL645568

COC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CNc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.51
EPHX2 P34913 1/20 0.48
XIAP P98170 2/20 0.44
CCKBR P32239 3/20 0.44

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
SCHEMBL645694 1.00 SCN9A (0.51) SCN9AEPHX2XIAPCCKBR
SCHEMBL644741 0.89 SCN9A (0.47) SCN9AEPHX2XIAP
SCHEMBL12522580 0.88 SCN9A (0.49) SCN9AEPHX2XIAPCCKBR
SCHEMBL10263272 0.88 SCN9A (0.46) SCN9AEPHX2XIAPCCKBR
SCHEMBL5619776 0.86 SCN9A (0.51) SCN9AEPHX2XIAP
SCHEMBL5619770 0.86 SCN9A (0.51) SCN9AEPHX2XIAP
SCHEMBL13310781 0.86 SCN9A (0.53) SCN9AEPHX2XIAP
SCHEMBL4427298 0.86 SCN9A (0.53) SCN9AEPHX2XIAP
SCHEMBL4427306 0.86 SCN9A (0.53) SCN9AEPHX2XIAP
SCHEMBL13139827 0.85 XIAP (0.47) SCN9AXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2022-05-31 US disclosed
US-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2020-12-10 US disclosed
US-10765756-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2020-09-08 US disclosed
US-20190076538-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2019-03-14 US disclosed
US-10080805-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2018-09-25 US disclosed
US-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2015-02-19 US disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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-6103711-A INTERLEUKIN-1 MEDIATED DISEASES; ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS; AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-08-15 US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 US disclosed
US-5973111-A NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1999-10-26 US disclosed
US-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 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 (8 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-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR SCN9A 2626/4885EPHX2 2332/4885XIAP 3342/4885
US-10765756-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR SCN9A 2626/4885EPHX2 2332/4885XIAP 3342/4885
US-20190076538-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR SCN9A 2626/4885EPHX2 2332/4885XIAP 3342/4885
US-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR SCN9A 2626/4885EPHX2 2332/4885XIAP 3342/4885
US-10080805-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR SCN9A 2626/4885EPHX2 2332/4885XIAP 3342/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B SCN9A 2305/4885EPHX2 1830/4885XIAP 257/4885
US-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR SCN9A 2626/4885EPHX2 2332/4885XIAP 3342/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 SCN9A 1346/4885EPHX2 419/4885XIAP 366/4885

“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.