SCHEMBL1637858

SCHEMBL1637858

CCCCCC(=O)OCOC(=O)CCN(CCCCN(CCC)CCC)Cc1ccc(CN(Cc2ncc[nH]2)C(C)c2ncc[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.42
CTSD P07339 1/20 0.32
DRD2 P14416 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL1636318 0.93 CXCR4 (0.44) CXCR4CTSD
SCHEMBL1638396 0.93 CXCR4 (0.43) CXCR4THRATHRB
SCHEMBL1637155 0.93 CXCR4 (0.44) CXCR4CTSDDRD2
SCHEMBL1637125 0.92 CXCR4 (0.41) CXCR4DRD2
SCHEMBL15161928 0.92 CXCR4 (0.43) CXCR4
SCHEMBL1636898 0.91 CXCR4 (0.41) CXCR4
SCHEMBL1637515 0.91 CXCR4 (0.42) CXCR4
SCHEMBL1636379 0.90 CXCR4 (0.45) CXCR4CTSD
SCHEMBL1638097 0.90 CXCR4 (0.47) CXCR4CTSD
SCHEMBL1637951 0.90 CXCR4 (0.40) CXCR4

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 7 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
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 (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 86/4885CTSD 4728/4885DRD2 175/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885CTSD 4764/4885DRD2 257/4885

“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.