SCHEMBL4067547

SCHEMBL4067547

O=C(O)CCc1cccc(CN(Cc2ncc[nH]2)Cc2nccn2CCCN2CCC3(CCN(C4CCCCC4)CC3)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.36
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL4531719 0.93 CXCR4 (0.39) CXCR4HRH3LMNAMAPT
SCHEMBL4068429 0.91 MAPT (0.36) CXCR4LMNAMAPT
SCHEMBL4066591 0.90 CXCR4 (0.35) CXCR4LMNAMAPT
SCHEMBL4075050 0.89 CXCR4 (0.39) CXCR4
SCHEMBL4069741 0.88 CXCR4 (0.40) CXCR4
SCHEMBL4075716 0.87 CXCR4 (0.39) CXCR4MAPT
SCHEMBL4068923 0.87 CXCR4 (0.48) CXCR4MAPT
SCHEMBL4074228 0.86 CXCR4 (0.39) CXCR4LMNAMAPT
SCHEMBL4225549 0.86 CXCR4 (0.44) CXCR4HRH3
SCHEMBL4067716 0.85 CXCR4 (0.38) CXCR4

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 1/4885KCNH2 3961/4885HRH3 1780/4885

“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.