SCHEMBL1637155

SCHEMBL1637155

CCCN(CCC)CCCCN(CCC(=O)OCC)Cc1ccc(CN(Cc2ncc[nH]2)C(C)c2ncc[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.44
DRD2 P14416 1/20 0.36
LTA4H P09960 2/20 0.33
TAAR1 Q96RJ0 1/20 0.30
CTSD P07339 1/20 0.30
ALOX5 P09917 1/20 0.30
BCHE P06276 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
SCHEMBL1637125 0.94 CXCR4 (0.41) CXCR4DRD2
SCHEMBL15161928 0.94 CXCR4 (0.43) CXCR4LTA4H
SCHEMBL1638396 0.93 CXCR4 (0.43) CXCR4LTA4H
SCHEMBL2189971 0.93 CXCR4 (0.45) CXCR4DRD2LTA4HTAAR1CTSD
SCHEMBL1637858 0.93 CXCR4 (0.42) CXCR4DRD2CTSD
SCHEMBL1636379 0.92 CXCR4 (0.45) CXCR4TAAR1CTSDBCHE
SCHEMBL1638097 0.92 CXCR4 (0.47) CXCR4TAAR1CTSDBCHE
SCHEMBL1636318 0.92 CXCR4 (0.44) CXCR4CTSD
SCHEMBL15161965 0.92 CXCR4 (0.42) CXCR4
SCHEMBL15162492 0.92 CXCR4 (0.43) CXCR4LTA4H

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 10 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
US-8722719-B2 Amine compound and use for same KUREHA CORPORATION (JP) 2014-05-13 US disclosed
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20130245280-A1 AMINE COMPOUND AND USE FOR SAME KUREHA CORPORATION (JP) 2013-09-19 US disclosed
EP-2626349-A1 AMINE COMPOUND AND USE FOR SAME Kureha Corporation (JP) 2013-08-14 EP 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-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 (3 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 86/4885DRD2 175/4885LTA4H 4574/4885
US-20130245280-A1 AMINE COMPOUND AND USE FOR SAME SAT1, ALDH7A1, HNMT CXCR4 4194/4885DRD2 829/4885LTA4H 787/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885DRD2 257/4885LTA4H 4459/4885

“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.