SCHEMBL2193663

SCHEMBL2193663

CCCC(N)(CCC)CCCN(CC(=O)O)Cc1ccc(CN(Cc2nccn2C)Cc2nccn2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.52
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNA5 P22460 1/20 0.33
MLYCD O95822 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31
TSHR P16473 1/20 0.30
MAOB P27338 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL2192899 0.90 CXCR4 (0.47) CXCR4PPARAKMT2AMEN1NPC1
SCHEMBL2191891 0.89 CXCR4 (0.46) CXCR4PPARGPPARAKMT2AMEN1
SCHEMBL1637248 0.86 CXCR4 (0.67) CXCR4PPARGPPARAKMT2AMEN1
SCHEMBL1637893 0.80 CXCR4 (0.61) CXCR4PPARGPPARAKMT2AMEN1
SCHEMBL2189430 0.80 CXCR4 (0.55) CXCR4KMT2AMEN1POLBMAPT
SCHEMBL15510423 0.80 CXCR4 (0.46) CXCR4KMT2AMEN1
SCHEMBL2191223 0.79 CXCR4 (0.56) CXCR4KMT2ANPC1POLBL3MBTL1
SCHEMBL1637972 0.79 CXCR4 (0.79) CXCR4PPARGPPARAKMT2ANPC1
SCHEMBL1638354 0.79 CXCR4 (0.77) CXCR4PPARGPPARAKMT2ANPC1
SCHEMBL2193719 0.79 CXCR4 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US claimed

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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 CXCR4 86/4885PPARG 2728/4885PPARA 2864/4885

“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.