SCHEMBL4201620

SCHEMBL4201620

O=C(NCc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)C(Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.46
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ERN1 O75460 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
NAMPT P43490 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
CYP2D6 P10635 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CXCR3 P49682 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL4207090 0.91 CXCR4 (0.45) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4209811 0.88 CXCR4 (0.51) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4215158 0.86 CXCR4 (0.47) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4208253 0.86 CXCR4 (0.49) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4213602 0.85 CXCR4 (0.43) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4202795 0.85 CXCR4 (0.47) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4204687 0.85 CYP1A2 (0.37) CXCR4ALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL4209104 0.85 CXCR4 (0.49) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4216364 0.84 CXCR4 (0.43) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4207012 0.84 CXCR4 (0.45) CXCR4ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 EP claimed
US-8318931-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US claimed
US-8293896-B2 2012-10-23 US 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
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 EP disclosed
US-8318931-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
US-8318931-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 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 (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-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885ALDH1A1 793/4885KDM4E 4377/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885ALDH1A1 328/4885KDM4E 3862/4885

“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.