SCHEMBL1637382

SCHEMBL1637382

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

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.74
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL1637501 1.00 CXCR4 (0.74) CXCR4LMNATAAR1KMT2AMEN1
SCHEMBL1206904 1.00 CXCR4 (0.74) CXCR4LMNATAAR1KMT2AMEN1
SCHEMBL1637981 0.91 CXCR4 (0.66) CXCR4LMNAKMT2AMEN1POLB
SCHEMBL1637511 0.91 CXCR4 (0.66) CXCR4LMNAKMT2AMEN1POLB
SCHEMBL1636499 0.88 CXCR4 (0.75) CXCR4LMNATAAR1KMT2AMEN1
SCHEMBL1206755 0.88 CXCR4 (0.75) CXCR4LMNATAAR1KMT2AMEN1
SCHEMBL1638529 0.88 CXCR4 (0.75) CXCR4LMNATAAR1KMT2AMEN1
SCHEMBL1636474 0.86 CXCR4 (0.75) CXCR4LMNATAAR1KMT2AMEN1
SCHEMBL1637972 0.85 CXCR4 (0.79) CXCR4LMNATAAR1KMT2APOLB
Cadaverine Tartrate SCHEMBL29579904 0.85 CXCR4 (1.00) CXCR4LMNATAAR1KMT2AMEN1

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 12 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-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 86/4885LMNA 4136/4885TAAR1 67/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885LMNA 3768/4885TAAR1 82/4885

“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.