SCHEMBL5089047

SCHEMBL5089047

COc1ccc(-c2[nH]c(CC(C(=O)O)c3cccc(Cl)c3)nc2-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 12/20 0.51
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
TEK Q02763 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TP53 P04637 1/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL5093419 0.92 CCKAR (0.51) CCKARMAPTKDM4EMEN1ALDH1A1
SCHEMBL5093279 0.91 CCKAR (0.51) CCKARMAPTKDM4EMEN1ALDH1A1
SCHEMBL5093258 0.89 CCKAR (0.40) CCKARMAPTKDM4EMEN1ALDH1A1
SCHEMBL5093271 0.88 CCKAR (0.49) CCKARMAPTKDM4EMEN1ALDH1A1
SCHEMBL5093239 0.84 MAPT (0.42) CCKARMAPTKDM4EMEN1ALDH1A1
SCHEMBL5094344 0.74 CCKAR (0.46) CCKARMAPTKDM4EMEN1ALDH1A1
SCHEMBL5091262 0.73 TEK (0.40) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5091286 0.72 MAPT (0.42) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5091295 0.72 MAPT (0.42) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5098904 0.72 MAPT (0.42) MAPTKDM4EMEN1ALDH1A1CYP1A2

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
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US claimed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US claimed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US claimed
US-20050197377-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-09-08 US claimed
WO-2005063716-A1 IMIDAZOLES AND THEIR USE CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-14 WO claimed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-20050197377-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-09-08 US disclosed
WO-2005063716-A1 IMIDAZOLES AND THEIR USE CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-14 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 (2 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-20050197377-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885MAPT 4128/4885KDM4E 4205/4885
US-20070249698-A1 CCK-1 Receptor Modulators CCKAR, CCKBR, GIPR CCKAR 1/4885MAPT 4128/4885KDM4E 4205/4885

“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.