SCHEMBL4003598

SCHEMBL4003598

CCOC(=O)C(CC#CC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.39
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
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
SCHEMBL13980100 0.92 CTSB (0.36) CTSBTSHRTDP1SLC6A4SLC6A3
SCHEMBL4807249 0.92 CTSB (0.36) CTSBTSHRTDP1SLC6A4SLC6A3
SCHEMBL4808176 0.92 CTSB (0.36) CTSBTSHRTDP1SLC6A4SLC6A3
SCHEMBL4014499 0.85 MAPT (0.38) TDP1L3MBTL1MAPTSMN1; SMN2KDM4E
SCHEMBL13985456 0.83 KMO (0.45) SLC6A4SLC6A3L3MBTL1MAPTALDH1A1
SCHEMBL13985455 0.76 KMO (0.40) CTSBSLC6A4SLC6A3L3MBTL1MAPT
SCHEMBL4806559 0.75 TDP1 (0.38) TDP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL4802868 0.74 TDP1 (0.41) TDP1L3MBTL1MAPTSMN1; SMN2KDM4E
SCHEMBL23484631 0.71 TSHR (0.46) TSHRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6367101 0.69 ALDH1A1 (0.43) TDP1L3MBTL1MAPTSMN1; SMN2KDM4E

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 15 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
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 CTSB 3794/4885TSHR 187/4885TDP1 2703/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CTSB 2693/4885TSHR 164/4885TDP1 3967/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CTSB 2693/4885TSHR 164/4885TDP1 3967/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 CTSB 3432/4885TSHR 301/4885TDP1 4321/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CTSB 3268/4885TSHR 146/4885TDP1 4296/4885

“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.