SCHEMBL4201503

SCHEMBL4201503

CCC(C(=O)O)N(Cc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)CC(Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.45
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP3A4 P08684 9/20 0.33
CYP2D6 P10635 7/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 4/20 0.32
TSHR P16473 3/20 0.31
OPRD1 P41143 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 3/20 0.31

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
SCHEMBL4202737 0.87 CXCR4 (0.45) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4201919 0.87 CXCR4 (0.49) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL15225609 0.84 CXCR4 (0.45) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL13473524 0.84 CXCR4 (0.47) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4202048 0.83 CXCR4 (0.46) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4208222 0.83 CXCR4 (0.44) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4202608 0.82 CXCR4 (0.45) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4208299 0.81 CXCR4 (0.52) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4207012 0.81 CXCR4 (0.45) CXCR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4199102 0.81 CXCR4 (0.42) CXCR4KDM4EMEN1ALDH1A1KMT2A

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 6 patents. 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-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
US-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-12-27 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-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US 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-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885KDM4E 3862/4885MEN1 2513/4885
US-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885KDM4E 4377/4885MEN1 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.