SCHEMBL4158552

SCHEMBL4158552

COc1ccc(-n2nc(CC(C(=O)O)c3cccc(C)c3)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 16/20 1.00
ALOX5 P09917 1/20 0.58
PTGS2 P35354 1/20 0.58
MALT1 Q9UDY8 2/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51

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
SCHEMBL4141151 0.94 CCKAR (1.00) CCKARALOX5PTGS2
SCHEMBL4137399 0.93 CCKAR (1.00) CCKARALOX5PTGS2MALT1RXRA
SCHEMBL4009149 0.93 CCKAR (1.00) CCKARALOX5PTGS2MALT1RXRA
SCHEMBL9349851 0.92 CCKAR (1.00) CCKARALOX5PTGS2MALT1
SCHEMBL4008368 0.91 CCKAR (0.84) CCKARALOX5PTGS2RXRARXRB
SCHEMBL4003361 0.91 CCKAR (0.84) CCKARALOX5PTGS2RXRARXRB
SCHEMBL4813159 0.91 CCKAR (0.84) CCKARALOX5PTGS2RXRARXRB
SCHEMBL4858502 0.91 CCKAR (1.00) CCKARALOX5PTGS2RXRARXRB
SCHEMBL4006468 0.90 CCKAR (1.00) CCKARALOX5PTGS2MALT1RXRA
SCHEMBL4844010 0.90 CCKAR (1.00) CCKARALOX5PTGS2MALT1RXRA

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 16 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
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US 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 CCKAR 1/4885ALOX5 2648/4885PTGS2 2354/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885ALOX5 4355/4885PTGS2 1695/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885ALOX5 4355/4885PTGS2 1695/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 CCKAR 1/4885ALOX5 480/4885PTGS2 1436/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CCKAR 1/4885ALOX5 3355/4885PTGS2 1689/4885

“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.