SCHEMBL4775862

SCHEMBL4775862

O=C(c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1)N1CCCC2(CCN(C3CCCC3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
CXCR4 P61073 2/20 0.43
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 9/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 3/20 0.41
HSD17B10 Q99714 1/20 0.40
HTR2B P41595 2/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4774275 0.99 HRH3 (0.43) HRH3CXCR4L3MBTL3L3MBTL1CYP3A4
SCHEMBL4775494 0.99 HRH3 (0.43) HRH3CXCR4L3MBTL3L3MBTL1CYP3A4
SCHEMBL4775867 0.96 L3MBTL3 (0.45) HRH3CXCR4L3MBTL3L3MBTL1CYP3A4
SCHEMBL1796496 0.96 L3MBTL3 (0.44) HRH3CXCR4L3MBTL3L3MBTL1HTR2B
SCHEMBL4772062 0.96 L3MBTL3 (0.44) HRH3CXCR4L3MBTL3L3MBTL1HTR2B
SCHEMBL2695543 0.93 CXCR4 (0.41) HRH3CXCR4L3MBTL3L3MBTL1CYP3A4
SCHEMBL2692473 0.93 CXCR4 (0.41) HRH3CXCR4L3MBTL3L3MBTL1CYP3A4
SCHEMBL4771716 0.93 CXCR4 (0.42) HRH3CXCR4L3MBTL3L3MBTL1HTR2B
SCHEMBL2693488 0.92 CXCR4 (0.40) HRH3CXCR4L3MBTL3L3MBTL1CYP3A4
SCHEMBL4772043 0.90 HTR2B (0.43) HRH3CXCR4L3MBTL3L3MBTL1ALDH1A1

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
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US claimed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP claimed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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 (1 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-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 HRH3 548/4885CXCR4 1/4885L3MBTL3 2251/4885

“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.