SCHEMBL1638529

SCHEMBL1638529

CCCN(CCC)[C@H](CCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.75
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
DRD4 P21917 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
LMNA P02545 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
SCHEMBL1206755 1.00 CXCR4 (0.75) CXCR4KMT2AMEN1TAAR1DRD4
SCHEMBL1636499 1.00 CXCR4 (0.75) CXCR4KMT2AMEN1TAAR1DRD4
SCHEMBL1638543 0.91 CXCR4 (0.68) CXCR4KMT2AMEN1DRD4NPC1
SCHEMBL1637532 0.91 CXCR4 (0.68) CXCR4KMT2AMEN1DRD4NPC1
SCHEMBL12417070 0.91 CXCR4 (0.68) CXCR4KMT2AMEN1DRD4NPC1
SCHEMBL1206904 0.88 CXCR4 (0.74) CXCR4KMT2AMEN1TAAR1NPC1
SCHEMBL1637382 0.88 CXCR4 (0.74) CXCR4KMT2AMEN1TAAR1NPC1
SCHEMBL1637501 0.88 CXCR4 (0.74) CXCR4KMT2AMEN1TAAR1NPC1
Tartaric Acid SCHEMBL30197039 0.86 CXCR4 (1.00) CXCR4KMT2AMEN1TAAR1DRD4
Cadaverine Tartrate SCHEMBL29579904 0.86 CXCR4 (1.00) CXCR4KMT2AMEN1TAAR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US claimed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP claimed
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (2 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 86/4885KMT2A 474/4885MEN1 1008/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885KMT2A 488/4885MEN1 1361/4885

“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.