SCHEMBL4008792

SCHEMBL4008792

Cc1ccc(-n2nc(-c3cccc(N(C)C)c3)cc2CC(C(=O)O)c2cccc(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 11/20 0.51
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.41
NPY5R Q15761 1/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
GRM5 P41594 2/20 0.37

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
SCHEMBL4808938 0.83 CCKAR (0.70) CCKAR
SCHEMBL4807450 0.77 CCKAR (0.63) CCKARLMNAALDH1A1MAPT
SCHEMBL4806745 0.77 CCKAR (0.77) CCKAR
SCHEMBL4812646 0.74 SMN1; SMN2 (0.43) CCKARTP53ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4164999 0.72 CCKAR (0.87) CCKAR
SCHEMBL4805984 0.71 CCKAR (0.73) CCKAR
SCHEMBL4301034 0.71 CCKAR (0.73) CCKAR
SCHEMBL4164779 0.70 CCKAR (0.72) CCKAR
SCHEMBL4807778 0.70 CCKAR (0.46) CCKARMAPT
SCHEMBL4010079 0.70 CCKAR (0.74) CCKAR

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 1/4885TP53 4563/4885LMNA 4188/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885TP53 1638/4885LMNA 4772/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885TP53 1638/4885LMNA 4772/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 CCKAR 1/4885TP53 3211/4885LMNA 2668/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CCKAR 1/4885TP53 2123/4885LMNA 4412/4885

“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.