SCHEMBL4233758

SCHEMBL4233758

CC(C)CN1CCC2(CC1)CCN(Cc1ccc(CN(Cc3ncc[nH]3)Cc3nccn3CCCC(=O)O)cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.59
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
CYP3A4 P08684 10/20 0.34
CYP2D6 P10635 9/20 0.34
CYP1A2 P05177 3/20 0.34
USP2 O75604 4/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL4066966 0.91 CXCR4 (0.54) CXCR4CYP3A4CYP2D6CYP1A2USP2
SCHEMBL4228437 0.91 CXCR4 (0.55) CXCR4KDM1AMAOBRCOR1CYP3A4
SCHEMBL4074206 0.91 CXCR4 (0.52) CXCR4CYP3A4CYP2D6CYP1A2USP2
SCHEMBL4229084 0.90 CXCR4 (0.48) CXCR4KDM1AMAOBRCOR1CYP3A4
SCHEMBL4230858 0.90 CXCR4 (0.48) CXCR4KDM1AMAOBRCOR1CYP3A4
SCHEMBL4073689 0.89 CXCR4 (0.54) CXCR4CYP3A4CYP2D6CYP1A2USP2
SCHEMBL4067781 0.89 CXCR4 (0.53) CXCR4CYP3A4CYP2D6CYP1A2USP2
SCHEMBL4073790 0.89 CXCR4 (0.53) CXCR4CYP3A4CYP2D6CYP1A2USP2
SCHEMBL4073359 0.88 CXCR4 (0.53) CXCR4CYP3A4CYP2D6CYP1A2USP2
SCHEMBL14655783 0.88 CXCR4 (0.57) CXCR4KDM1AMAOBRCOR1CYP3A4

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 8 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 claimed
EP-2042503-B1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-01-30 EP claimed
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US claimed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP claimed
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 1/4885KDM1A 4685/4885MAOB 3005/4885

“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.