SCHEMBL4230397

SCHEMBL4230397

O=C(O)CCn1ccnc1CN(Cc1ncc[nH]1)C(=O)c1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.58
OPRD1 P41143 4/20 0.37
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CTSD P07339 1/20 0.32
CYP3A4 P08684 4/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31

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
SCHEMBL4228917 0.91 CXCR4 (0.56) CXCR4OPRD1KMT2AMEN1KDM1A
SCHEMBL4233793 0.90 CXCR4 (0.45) CXCR4OPRD1KMT2AALDH1A1KDM4E
SCHEMBL1794789 0.89 CXCR4 (0.69) CXCR4OPRD1KMT2AALDH1A1KDM4E
SCHEMBL1796943 0.89 CXCR4 (0.69) CXCR4OPRD1KMT2AALDH1A1KDM4E
SCHEMBL1794877 0.89 CXCR4 (0.69) CXCR4OPRD1KMT2AALDH1A1KDM4E
SCHEMBL2694559 0.89 CXCR4 (0.68) CXCR4OPRD1KMT2AALDH1A1KDM4E
SCHEMBL1795217 0.88 CXCR4 (0.70) CXCR4OPRD1KMT2AALDH1A1KDM4E
SCHEMBL1793649 0.87 CXCR4 (0.70) CXCR4OPRD1KMT2AALDH1A1KDM4E
SCHEMBL1792967 0.86 CXCR4 (0.64) CXCR4OPRD1KMT2AALDH1A1KDM4E
SCHEMBL1798061 0.86 CXCR4 (0.66) CXCR4OPRD1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
EP-2042503-B1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-01-30 EP disclosed
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 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-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 CXCR4 1/4885OPRD1 1744/4885KMT2A 4124/4885

“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.