SCHEMBL4772043

SCHEMBL4772043

O=C(c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1)N1CCC2(CC1)CCN(C1CCCCC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.43
L3MBTL3 Q96JM7 8/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
KDM4E B2RXH2 3/20 0.43
CXCR4 P61073 1/20 0.41
MBTD1 Q05BQ5 5/20 0.41
HRH3 Q9Y5N1 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4772062 0.95 L3MBTL3 (0.44) HTR2BL3MBTL3L3MBTL1KDM4ECXCR4
SCHEMBL1796496 0.95 L3MBTL3 (0.44) HTR2BL3MBTL3L3MBTL1KDM4ECXCR4
SCHEMBL4779196 0.94 HTR2B (0.43) HTR2BL3MBTL3L3MBTL1KDM4ECXCR4
SCHEMBL4775867 0.94 L3MBTL3 (0.45) HTR2BL3MBTL3L3MBTL1KDM4ECXCR4
SCHEMBL4771716 0.94 CXCR4 (0.42) HTR2BL3MBTL3L3MBTL1KDM4ECXCR4
SCHEMBL1205326 0.92 KDM4E (0.52) HTR2BL3MBTL3L3MBTL1KDM4EMBTD1
SCHEMBL4775494 0.91 HRH3 (0.43) HTR2BL3MBTL3L3MBTL1KDM4ECXCR4
SCHEMBL4774275 0.91 HRH3 (0.43) HTR2BL3MBTL3L3MBTL1KDM4ECXCR4
SCHEMBL4775862 0.90 HRH3 (0.44) HTR2BL3MBTL3L3MBTL1CXCR4HRH3
SCHEMBL4235125 0.90 HTR2B (0.38) HTR2BL3MBTL3L3MBTL1KDM4ECXCR4

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 HTR2B 1868/4885L3MBTL3 2251/4885L3MBTL1 1506/4885

“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.