SCHEMBL5093141

SCHEMBL5093141

COc1ccc(-c2[nH]c(/C=C(/C(=O)O)c3cccc4ccccc34)nc2-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.45
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MAPT P10636 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TP53 P04637 3/20 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
SCHEMBL5093148 1.00 AKR1C2 (0.45) AKR1C2FNTAFNTBMAPTCYP1A2
SCHEMBL5091286 0.84 MAPT (0.42) AKR1C2MAPTCYP1A2CYP2C19KDM4E
SCHEMBL5098904 0.84 MAPT (0.42) AKR1C2MAPTCYP1A2CYP2C19KDM4E
SCHEMBL5091295 0.84 MAPT (0.42) AKR1C2MAPTCYP1A2CYP2C19KDM4E
SCHEMBL5099038 0.83 MAPT (0.44) MAPTCYP1A2CYP2C19KDM4EMEN1
SCHEMBL5099031 0.83 MAPT (0.44) MAPTCYP1A2CYP2C19KDM4EMEN1
SCHEMBL5091333 0.83 MEN1 (0.41) MAPTCYP1A2CYP2C19KDM4EMEN1
SCHEMBL5091344 0.83 MEN1 (0.41) MAPTCYP1A2CYP2C19KDM4EMEN1
SCHEMBL5094335 0.83 MEN1 (0.41) MAPTCYP1A2CYP2C19KDM4EMEN1
SCHEMBL5094382 0.83 MAPT (0.44) MAPTCYP1A2CYP2C19KDM4EMEN1

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
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
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 AKR1C2 3152/4885FNTA 4048/4885FNTB 3921/4885
US-20070249698-A1 CCK-1 Receptor Modulators CCKAR, CCKBR, GIPR AKR1C2 3152/4885FNTA 4048/4885FNTB 3921/4885

“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.