SCHEMBL4336856

SCHEMBL4336856

O=C(O)C1CCCN1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ACE P12821 7/20 0.40

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
SCHEMBL1954186 1.00 CNR1 (0.42) CNR1CNR2ACE
SCHEMBL15665698 1.00 CNR1 (0.42) CNR1CNR2ACE
SCHEMBL9107688 0.98 ACE (0.41) CNR1CNR2ACE
SCHEMBL1952767 0.98 ACE (0.41) CNR1CNR2ACE
SCHEMBL11098876 0.96 CNR2 (0.40) CNR1CNR2ACE
SCHEMBL3718206 0.94 CNR2 (0.40) CNR1CNR2ACE
SCHEMBL28152132 0.94 ACE (0.43) CNR1CNR2ACE
SCHEMBL3718209 0.94 CNR2 (0.40) CNR1CNR2ACE
SCHEMBL28152243 0.94 ACE (0.43) CNR1CNR2ACE
SCHEMBL2223045 0.94 ACE (0.43) CNR1CNR2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4153310-A1 BBETA-15-42 FOR THE TREATMENT OF VIRAL ENDOTHELITIS F4 Pharma GmbH (AT) 2023-03-29 EP disclosed
WO-2021233971-A1 BBETA-15-42 FOR THE TREATMENT OF VIRAL ENDOTHELITIS Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2021-11-25 WO disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20130316945-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-28 US disclosed
US-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
CN-101462996-B Preparation of 4-cyclohexyl proline derivative SHANGHAI INST PHARM INDUSTRY 2011-04-20 CN disclosed
US-7906550-B2 Viricide against hepatitis virus; pyrrole derivatives as, for example, 3-acetyl-4,5-dimethyl-2-pyrrole carboxylic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 US disclosed
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
CN-101462996-A Preparation of 4-cyclohexyl proline derivative SHANGHAI INST PHARM INDUSTRY (CN) 2009-06-24 CN disclosed
US-20050119189-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2005-06-02 US disclosed
US-20050080017-A1 Inhibitors of serine proteases, particularly HVC NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2005-04-14 US disclosed
WO-2005028502-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-03-31 WO disclosed
WO-2004092161-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 WO disclosed
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed
WO-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 WO disclosed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US disclosed
EP-1058690-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2000-12-13 EP disclosed
WO-1999045027-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 1999-09-10 WO disclosed
US-5059628-A Proline or prolinol ester to enhance absorption NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-10-22 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 (5 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885ACE 3990/4885
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CNR1 3157/4885CNR2 4217/4885ACE 34/4885
US-20050119189-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 CNR1 3157/4885CNR2 4217/4885ACE 34/4885
US-20050080017-A1 Inhibitors of serine proteases, particularly HVC NS3-NS4A protease HPN, PRSS1, SERPINB1 CNR1 3666/4885CNR2 4474/4885ACE 65/4885
US-20130316945-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CNR1 3157/4885CNR2 4217/4885ACE 34/4885

“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.