SCHEMBL4808176

SCHEMBL4808176

CCOC(=O)C(C)OC(=O)[C@@H](CC#CC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.36
TSHR P16473 2/20 0.33
GPR139 Q6DWJ6 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL4807249 1.00 CTSB (0.36) CTSBTSHRGPR139TDP1SLC6A2
SCHEMBL13980100 1.00 CTSB (0.36) CTSBTSHRGPR139TDP1SLC6A2
SCHEMBL4003598 0.92 CTSB (0.39) CTSBTSHRGPR139TDP1SLC6A2
SCHEMBL13985455 0.85 KMO (0.40) CTSBSLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL4014499 0.78 MAPT (0.38) TDP1HPGDL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4809892 0.77 ALDH1A1 (0.37) TDP1L3MBTL1ALDH1A1TP53KCNA5
SCHEMBL13980101 0.77 ALDH1A1 (0.37) TDP1L3MBTL1ALDH1A1TP53KCNA5
SCHEMBL4809141 0.77 ALDH1A1 (0.37) TDP1L3MBTL1ALDH1A1TP53KCNA5
SCHEMBL13985456 0.76 KMO (0.45) SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL4806559 0.68 TDP1 (0.38) TDP1L3MBTL1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSB 3794/4885TSHR 187/4885GPR139 165/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CTSB 2693/4885TSHR 164/4885GPR139 67/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CTSB 2693/4885TSHR 164/4885GPR139 67/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CTSB 3268/4885TSHR 146/4885GPR139 48/4885

“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.