SCHEMBL4201741

SCHEMBL4201741

OCC(CNCc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)(Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.40
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 7/20 0.33
CYP2D6 P10635 6/20 0.33
CYP2C9 P11712 5/20 0.33
CASP1 P29466 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
CYP2C19 P33261 4/20 0.32
CYP1A2 P05177 3/20 0.31
TSHR P16473 3/20 0.30

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
SCHEMBL4206724 0.87 CXCR4 (0.38) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4233451 0.86 CXCR4 (0.43) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4196764 0.85 CXCR4 (0.54) CXCR4ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL15225764 0.80 CXCR4 (0.42) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4213602 0.79 CXCR4 (0.43) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4213650 0.79 CXCR4 (0.49) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4200876 0.79 CXCR4 (0.43) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1793097 0.78 CXCR4 (0.49) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4207012 0.78 CXCR4 (0.45) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4201620 0.78 CXCR4 (0.46) CXCR4ALDH1A1MEN1KMT2AKDM4E

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 30 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 1/4885ALDH1A1 793/4885MEN1 3160/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885ALDH1A1 328/4885MEN1 2513/4885
US-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885ALDH1A1 793/4885MEN1 3160/4885

“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.