SCHEMBL2696885

SCHEMBL2696885

Cc1ccsc1CN1CCC2(CCN(Cc3ccc(CN(Cc4ncc[nH]4)Cc4ncc[nH]4)cc3)CC2)C1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.76
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 2/20 0.34
CYP2D6 P10635 3/20 0.34
MAPK1 P28482 1/20 0.34
MGLL Q99685 1/20 0.33
TSHR P16473 2/20 0.33
OGA O60502 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2C19 P33261 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2693480 1.00 CXCR4 (0.76) CXCR4ALDH1A1KDM4EKDM1AMAOB
SCHEMBL2693825 0.97 CXCR4 (0.72) CXCR4ALDH1A1KDM4EKDM1AMAOB
SCHEMBL2694350 0.97 CXCR4 (0.71) CXCR4ALDH1A1KDM4EALOX15CYP2D6
SCHEMBL2692258 0.97 CXCR4 (0.71) CXCR4ALDH1A1KDM4EALOX15CYP2D6
SCHEMBL2695171 0.96 CXCR4 (0.71) CXCR4ALDH1A1KDM4ELMNAPOLB
SCHEMBL2694083 0.96 CXCR4 (0.71) CXCR4ALDH1A1KDM4ELMNAPOLB
SCHEMBL2692247 0.95 CXCR4 (0.69) CXCR4ALDH1A1KDM4ELMNAPOLB
SCHEMBL14103214 0.92 CXCR4 (0.70) CXCR4ALDH1A1KDM4EKDM1AMAOB
SCHEMBL14103533 0.89 CXCR4 (0.66) CXCR4ALDH1A1KDM4EKDM1AMAOB
SCHEMBL14102791 0.88 CXCR4 (0.65) CXCR4ALDH1A1KDM4ELMNAPOLB

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 16 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
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
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-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US 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-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 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
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 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 1/4885ALDH1A1 470/4885KDM4E 4477/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 CXCR4 1/4885ALDH1A1 893/4885KDM4E 4606/4885

“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.