SCHEMBL4074228

SCHEMBL4074228

CCC(CC)N1CCC2(CCN(CCCn3ccnc3CN(Cc3cccc(CCC(=O)O)c3)Cc3ncc[nH]3)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.39
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PIM2 Q9P1W9 1/20 0.31
LMNA P02545 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 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
SCHEMBL2626917 0.93 CXCR4 (0.40) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4075534 0.93 CXCR4 (0.43) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4075136 0.92 CXCR4 (0.38) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4068923 0.91 CXCR4 (0.48) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4067087 0.90 CXCR4 (0.39) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4075716 0.89 CXCR4 (0.39) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4076897 0.89 CXCR4 (0.38) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4072227 0.89 CXCR4 (0.42) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4069578 0.89 CXCR4 (0.42) CXCR4MEN1MAPTMAPK1KMT2A
SCHEMBL4074607 0.88 CXCR4 (0.38) CXCR4OPRM1OPRL1

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 2211/4885MAPT 2947/4885

“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.