SCHEMBL2693076

SCHEMBL2693076

c1c[nH]c(CN(Cc2ncc[nH]2)C2CCC(N3CCC4(CCN(C5CCCCC5)CC4)C3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.36
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
TAAR1 Q96RJ0 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 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
SCHEMBL2695277 0.89 CXCR4 (0.38) CXCR4ALOX15POLBGAAMAPT
SCHEMBL2697543 0.89 CXCR4 (0.38) CXCR4ALOX15POLBGAAMAPT
SCHEMBL2695282 0.89 CXCR4 (0.38) CXCR4ALOX15POLBGAAMAPT
SCHEMBL2691948 0.87 CXCR4 (0.35) CXCR4ALOX15POLBGAAMAPT
SCHEMBL2695364 0.87 CXCR4 (0.38) CXCR4ALOX15MEN1ALDH1A1KMT2A
SCHEMBL2691943 0.87 CXCR4 (0.35) CXCR4ALOX15POLBGAAMAPT
SCHEMBL2695357 0.87 CXCR4 (0.38) CXCR4ALOX15MEN1ALDH1A1KMT2A
SCHEMBL2694561 0.87 CXCR4 (0.35) CXCR4ALOX15ALDH1A1OPRM1OPRK1
SCHEMBL2694566 0.87 CXCR4 (0.35) CXCR4ALOX15ALDH1A1OPRM1OPRK1
SCHEMBL2696702 0.87 CXCR4 (0.36) CXCR4ALOX15POLBGAAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 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 (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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 CXCR4 1/4885ALOX15 2074/4885POLB 3764/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 CXCR4 1/4885ALOX15 1958/4885POLB 3903/4885

“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.