SCHEMBL4233522

SCHEMBL4233522

CCOC(=O)CCCn1ccnc1CN(Cc1ccc(CN2CCC3(CCN(C(CC)CC)CC3)C2)cc1)Cc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.46
MEN1 O00255 3/20 0.37
MAPK1 P28482 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
EP300 Q09472 1/20 0.31
GHSR Q92847 1/20 0.31
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
CTSD P07339 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
SCHEMBL4229084 0.92 CXCR4 (0.48) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4514138 0.91 CXCR4 (0.41) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4228437 0.91 CXCR4 (0.55) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4224701 0.90 CXCR4 (0.45) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4069456 0.90 CXCR4 (0.40) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4067069 0.89 CXCR4 (0.40) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL13606667 0.88 CXCR4 (0.40) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4230314 0.88 CXCR4 (0.43) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4075136 0.86 CXCR4 (0.38) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4072259 0.86 CXCR4 (0.41) CXCR4MEN1MAPK1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US 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
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 1/4885MEN1 2059/4885MAPK1 904/4885

“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.