SCHEMBL4072245

SCHEMBL4072245

CCN(CC)C(=O)COC(=O)CCCCN(Cc1ncc[nH]1)Cc1nccn1CCCN1CCC2(CCN(CC(C)C)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.47
MEN1 O00255 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 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
SCHEMBL4067381 0.99 CXCR4 (0.48) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4075000 0.93 CXCR4 (0.46) CXCR4
SCHEMBL4077532 0.93 CXCR4 (0.48) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4066983 0.92 CXCR4 (0.47) CXCR4MEN1MAPK1KMT2A
SCHEMBL4075342 0.92 CXCR4 (0.49) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4071844 0.92 CXCR4 (0.39) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4068773 0.91 CXCR4 (0.49) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4073296 0.90 CXCR4 (0.39) CXCR4MEN1MAPK1KMT2AMAPT
SCHEMBL4068762 0.90 CXCR4 (0.45) CXCR4
SCHEMBL4074202 0.88 CXCR4 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 CXCR4 1/4885MEN1 2211/4885MAPK1 1050/4885

“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.