SCHEMBL4015149

SCHEMBL4015149

COc1ccc(-n2nc(-c3ccc(Cl)c(Cl)c3)cc2CC(c2cccc(C)c2)c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 14/20 0.44
MAPT P10636 2/20 0.37
RPA1 P27694 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SRC P12931 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4005905 0.85 CCKAR (0.57) CCKARRPA1
SCHEMBL4145367 0.85 CCKAR (0.57) CCKARRPA1
SCHEMBL4006622 0.85 CCKAR (0.57) CCKARRPA1
SCHEMBL4807450 0.82 CCKAR (0.63) CCKARMAPTRPA1LMNAALDH1A1
SCHEMBL4013985 0.77 CCKAR (0.67) CCKAR
SCHEMBL4009017 0.75 CCKAR (0.49) CCKARMAPTRPA1
SCHEMBL4806553 0.71 RPA1 (0.48) CCKARMAPTRPA1LMNATSHR
SCHEMBL4010100 0.69 CCKAR (0.61) CCKARRPA1
SCHEMBL4003361 0.68 CCKAR (0.84) CCKARRPA1
SCHEMBL4813159 0.68 CCKAR (0.84) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
US-20040067983-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed
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 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-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 CCKAR 1/4885MAPT 4782/4885RPA1 1488/4885
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.