SCHEMBL1802205

SCHEMBL1802205

CC(C)N(CCCCNC(=O)c1ccc(CN(Cc2ncc[nH]2)C(=O)c2ccccn2)cc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.49
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
HDAC6 Q9UBN7 1/20 0.42
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
NAMPT P43490 3/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4589207 0.88 CXCR4 (0.56) CXCR4ALDH1A1NAMPTHPGD
SCHEMBL1794515 0.88 CXCR4 (0.49) CXCR4ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4607724 0.86 CXCR4 (0.47) CXCR4ALDH1A1NAMPTKDM4E
SCHEMBL4589896 0.81 CXCR4 (0.48) CXCR4ALDH1A1NAMPTSMN1; SMN2
SCHEMBL4604016 0.81 CXCR4 (0.49) CXCR4ALDH1A1NAMPT
SCHEMBL4607605 0.80 CXCR4 (0.43) CXCR4ALDH1A1NAMPTALOX15KDM4E
SCHEMBL1793373 0.80 CXCR4 (0.47) CXCR4ALDH1A1NAMPTLMNA
SCHEMBL4605105 0.79 CXCR4 (0.45) CXCR4ALDH1A1NAMPT
SCHEMBL5546596 0.79 GAA (0.48) ALDH1A1KMT2AMEN1TMEM97SIGMAR1
SCHEMBL1797329 0.78 ALDH1A1 (0.47) CXCR4ALDH1A1TMEM97SIGMAR1NAMPT

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-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 CXCR4 1/4885ALDH1A1 305/4885KMT2A 3576/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 CXCR4 1/4885ALDH1A1 334/4885KMT2A 3544/4885

“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.