SCHEMBL4068844

SCHEMBL4068844

CCOC(=O)CCCN(Cc1ncc[nH]1)Cc1nccn1CCCN1CCC2(CCN(C3CCCCC3)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.38
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
CNR2 P34972 1/20 0.33
PKM P14618 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KCNH2 Q12809 1/20 0.30
GRIN2B Q13224 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL4069031 0.92 CXCR4 (0.38) CXCR4MAPTLMNAKMT2AMEN1
SCHEMBL4230314 0.90 CXCR4 (0.43) CXCR4MAPTLMNAKMT2AMEN1
SCHEMBL4075050 0.90 CXCR4 (0.39) CXCR4KMT2AMEN1KDM4E
SCHEMBL4068429 0.90 MAPT (0.36) CXCR4MAPTLMNAKMT2AMEN1
SCHEMBL4068839 0.87 CXCR4 (0.39) CXCR4MAPTLMNAKMT2AMEN1
SCHEMBL4075342 0.87 CXCR4 (0.49) CXCR4MAPTKMT2AMEN1MAPK1
SCHEMBL4230426 0.87 CXCR4 (0.44) CXCR4MAPTLMNAKMT2AMEN1
SCHEMBL4069456 0.87 CXCR4 (0.40) CXCR4MAPTLMNAKMT2AMEN1
SCHEMBL4077532 0.86 CXCR4 (0.48) CXCR4MAPTKMT2AMEN1MAPK1
SCHEMBL4068773 0.86 CXCR4 (0.49) CXCR4MAPTLMNAKMT2AMEN1

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.