SCHEMBL4807450

SCHEMBL4807450

COc1ccc(-n2nc(-c3ccc(Cl)c(Cl)c3)cc2CC(C(=O)O)c2cccc(C)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 16/20 0.63
MAPT P10636 1/20 0.45
RPA1 P27694 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4009017 0.87 CCKAR (0.49) CCKARMAPTRPA1
SCHEMBL4813159 0.84 CCKAR (0.84) CCKARRPA1
SCHEMBL4003361 0.84 CCKAR (0.84) CCKARRPA1
SCHEMBL4008368 0.84 CCKAR (0.84) CCKARRPA1
SCHEMBL4807778 0.82 CCKAR (0.46) CCKARMAPTRPA1
SCHEMBL4015149 0.82 CCKAR (0.44) CCKARMAPTRPA1ALDH1A1LMNA
SCHEMBL4158552 0.77 CCKAR (1.00) CCKAR
SCHEMBL4008792 0.77 CCKAR (0.51) CCKARMAPTALDH1A1LMNA
SCHEMBL5781975 0.76 CCKAR (0.71) CCKARRPA1
SCHEMBL5783980 0.76 CCKAR (0.71) CCKARRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP claimed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US claimed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO claimed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US 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
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 (4 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 1/4885MAPT 2577/4885RPA1 3350/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885MAPT 4740/4885RPA1 2496/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885MAPT 4740/4885RPA1 2496/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CCKAR 1/4885MAPT 4745/4885RPA1 1636/4885

“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.