SCHEMBL4200876

SCHEMBL4200876

CC(=O)OCC(CNC(=O)c1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)(Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.43
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
HRH3 Q9Y5N1 4/20 0.34
SLC6A5 Q9Y345 1/20 0.33
CYP3A4 P08684 5/20 0.33
CYP2C9 P11712 5/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP2D6 P10635 5/20 0.33
NAMPT P43490 1/20 0.33
CASP1 P29466 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
CCR5 P51681 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL15225764 0.87 CXCR4 (0.42) CXCR4KDM1AMAOBRCOR1HRH3
SCHEMBL4209966 0.85 CXCR4 (0.46) CXCR4KDM1AMAOBRCOR1HRH3
SCHEMBL4204740 0.81 NAMPT (0.33) KDM1AMAOBRCOR1HRH3SLC6A5
SCHEMBL4213650 0.81 CXCR4 (0.49) CXCR4KDM1AMAOBRCOR1HRH3
SCHEMBL4215158 0.80 CXCR4 (0.47) CXCR4KDM1AMAOBRCOR1HRH3
SCHEMBL4208253 0.79 CXCR4 (0.49) CXCR4KDM1AMAOBRCOR1HRH3
SCHEMBL4201741 0.79 CXCR4 (0.40) CXCR4KDM1AMAOBRCOR1HRH3
SCHEMBL4201620 0.76 CXCR4 (0.46) CXCR4KDM1AMAOBRCOR1HRH3
SCHEMBL1794877 0.76 CXCR4 (0.69) CXCR4KDM1AMAOBRCOR1HRH3
SCHEMBL4209811 0.76 CXCR4 (0.51) CXCR4KDM1AMAOBRCOR1HRH3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US claimed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US claimed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 EP claimed
US-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-12-27 US claimed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US claimed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP claimed
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
US-8293896-B2 2012-10-23 US disclosed
US-8293896-B2 2012-10-23 US disclosed
US-8293896-B2 2012-10-23 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP 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 (3 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-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885KDM1A 4412/4885MAOB 4119/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885KDM1A 4227/4885MAOB 3291/4885
US-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885KDM1A 4412/4885MAOB 4119/4885

“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.