SCHEMBL4905347

SCHEMBL4905347

CN(CC(=O)OCc1ccccc1)C1CCOc2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CXCR4 P61073 1/20 0.37
POLB P06746 2/20 0.37
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2B Q13224 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35

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
SCHEMBL4895231 0.84 CXCR4 (0.40) CXCR4MAPK1KDM4E
SCHEMBL4879472 0.80 CXCR4 (0.48) CXCR4
SCHEMBL4939879 0.80 CXCR4 (0.48) CXCR4
SCHEMBL4903084 0.77 KMT2A (0.41) L3MBTL1TSHRRAB9ACASP3SENP8
SCHEMBL10188306 0.72 MEN1 (0.36) L3MBTL1TSHRALDH1A1MAPK1KMT2A
SCHEMBL4889561 0.68 CXCR4 (0.46) CXCR4
SCHEMBL21965901 0.68 CRBN (0.64) L3MBTL1ALDH1A1MAPK1TDP1GLA
SCHEMBL18190830 0.67 ALDH1A1 (0.45) L3MBTL1TSHRALDH1A1MAPK1GLA
SCHEMBL19726788 0.66 ALDH1A1 (0.61) L3MBTL1RAB9AALDH1A1MAPK1KMT2A
SCHEMBL8377212 0.66 ALDH1A1 (0.61) L3MBTL1ALDH1A1MAPK1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US 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-20080214562-A1 Chemical Compounds CCR5, CXCR4, CXCR3 L3MBTL1 1892/4885TSHR 3325/4885RAB9A 1450/4885

“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.