SCHEMBL2192899

SCHEMBL2192899

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.47
TLR7 Q9NYK1 2/20 0.33
KCNA5 P22460 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 1/20 0.32
NR1D1 P20393 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MLYCD O95822 1/20 0.31
POLB P06746 2/20 0.31
MAPKAPK2 P49137 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PPARA Q07869 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
SCHEMBL2191891 0.92 CXCR4 (0.46) CXCR4TLR7KCNA5KMT2AMEN1
SCHEMBL2193663 0.90 CXCR4 (0.52) CXCR4KCNA5KMT2AMEN1LMNA
SCHEMBL1637333 0.86 CXCR4 (0.61) CXCR4KCNA5KMT2AMEN1LMNA
SCHEMBL1638752 0.81 CXCR4 (0.55) CXCR4KCNA5KMT2AMEN1LMNA
SCHEMBL2189430 0.81 CXCR4 (0.55) CXCR4KMT2AMEN1LMNACYP3A4
SCHEMBL2191223 0.80 CXCR4 (0.56) CXCR4KMT2AMLYCDPOLBNPC1
SCHEMBL1638557 0.80 CXCR4 (0.74) CXCR4KCNA5KMT2AMEN1LMNA
SCHEMBL2193719 0.80 CXCR4 (0.54) CXCR4
SCHEMBL1638006 0.78 CXCR4 (0.60) CXCR4KMT2AMEN1LMNACYP3A4
SCHEMBL1637248 0.75 CXCR4 (0.67) CXCR4KCNA5KMT2AMEN1POLB

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 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 CXCR4 86/4885TLR7 761/4885KCNA5 1359/4885

“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.