SCHEMBL1637248

SCHEMBL1637248

CCCN(CCC)CCCCN(CC(=O)O)Cc1ccc(CN(Cc2nccn2C)Cc2nccn2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.67
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KCNA5 P22460 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
RORC P51449 1/20 0.35
HRH3 Q9Y5N1 1/20 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
SCHEMBL1637893 0.94 CXCR4 (0.61) CXCR4PPARGPPARAKMT2ANPC1
SCHEMBL1637972 0.92 CXCR4 (0.79) CXCR4PPARGPPARAKMT2ANPC1
SCHEMBL1638354 0.90 CXCR4 (0.77) CXCR4PPARGPPARAKMT2ANPC1
SCHEMBL2626914 0.88 CXCR4 (0.74) CXCR4PPARGPPARABCHEACHE
SCHEMBL1637333 0.88 CXCR4 (0.61) CXCR4KMT2AMEN1KCNA5
Cadaverine Tartrate SCHEMBL15162047 0.88 CXCR4 (0.87) CXCR4PPARGPPARAKMT2ANPC1
SCHEMBL1638006 0.87 CXCR4 (0.60) CXCR4PPARGPPARAKMT2ANPC1
SCHEMBL2193663 0.86 CXCR4 (0.52) CXCR4PPARGPPARAKMT2ANPC1
SCHEMBL1637309 0.85 CXCR4 (0.86) CXCR4PPARGPPARAKMT2AMEN1
SCHEMBL1637878 0.85 CXCR4 (0.67) CXCR4KMT2AMEN1BCHEACHE

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 14 patents. 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
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-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
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 86/4885PPARG 2728/4885PPARA 2864/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885PPARG 2218/4885PPARA 2269/4885

“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.