SCHEMBL4069031

SCHEMBL4069031

CCOC(=O)CCc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2CCCN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
CTSD P07339 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 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
SCHEMBL4068429 0.94 MAPT (0.36) CXCR4MAPTLMNAPOLBPKM
SCHEMBL4068844 0.92 CXCR4 (0.38) CXCR4MAPTLMNAPOLBPKM
SCHEMBL4230314 0.92 CXCR4 (0.43) CXCR4MAPTLMNAPOLBPKM
SCHEMBL4531719 0.91 CXCR4 (0.39) CXCR4MAPTLMNAKMT2AMEN1
SCHEMBL4230426 0.90 CXCR4 (0.44) CXCR4MAPTLMNAPOLBPKM
SCHEMBL4068813 0.88 CXCR4 (0.49) CXCR4MAPTPOLBKMT2AMEN1
SCHEMBL4071593 0.88 CXCR4 (0.40) CXCR4MAPTPOLBKMT2AMEN1
SCHEMBL4514138 0.88 CXCR4 (0.41) CXCR4MAPTLMNAPOLBKMT2A
SCHEMBL4225603 0.87 CXCR4 (0.42) CXCR4MAPTPOLBKMT2AMEN1
SCHEMBL4069741 0.87 CXCR4 (0.40) CXCR4KMT2AMEN1CTSDTLR9

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 1/4885MAPT 2947/4885LMNA 4304/4885

“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.