SCHEMBL4006572

SCHEMBL4006572

CCOc1ccc(-n2nc(CO)cc2-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 6/20 0.50
BCL2 P10415 2/20 0.48
MDM2 Q00987 2/20 0.48
MCL1 Q07820 2/20 0.48
PTGS2 P35354 7/20 0.47
ALOX5 P09917 1/20 0.44
RPA1 P27694 1/20 0.44
PPP1CA P62136 2/20 0.44
CCKAR P32238 2/20 0.44
PTGS1 P23219 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL4007892 0.88 CA1 (0.64) CA1CA2CA9PTGS2ALOX5
SCHEMBL4008437 0.81 PTGS2 (0.48) BCL2MDM2MCL1PTGS2RPA1
SCHEMBL4015199 0.79 CCKAR (0.71) BCL2MDM2MCL1PTGS2ALOX5
SCHEMBL4806786 0.76 CCKAR (0.55) CA1CA2CA9PTGS2ALOX5
SCHEMBL4005627 0.76 RPA1 (0.54) CA1CA2CA9PTGS2ALOX5
SCHEMBL9349960 0.76 CA1 (0.77) CA1CA2CA9PTGS2ALOX5
SCHEMBL9081722 0.76 CA1 (0.69) CA1CA2CA9PTGS2ALOX5
SCHEMBL4005418 0.74 CCKAR (0.74) PTGS2ALOX5RPA1CCKAR
SCHEMBL4003275 0.73 PTGS2 (0.47) PTGS2RPA1PPP1CANOTUM
SCHEMBL4006133 0.72 MARS1 (0.48) CA1CA2CA9PTGS2PPP1CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 US disclosed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO disclosed
US-20040067983-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 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 (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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R CA1 2466/4885CA2 3355/4885CA9 3820/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CA1 1291/4885CA2 2026/4885CA9 1932/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CA1 1291/4885CA2 2026/4885CA9 1932/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 CA1 924/4885CA2 1774/4885CA9 1617/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CA1 1720/4885CA2 1896/4885CA9 2257/4885

“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.