SCHEMBL1638176

SCHEMBL1638176

CCCN(CCC)CCCCN1CCc2cc(CNCc3ncc[nH]3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.44
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
MOGAT2 Q3SYC2 2/20 0.36
ABCB1 P08183 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL1636577 0.93 CXCR4 (0.46) CXCR4DRD2DRD3
SCHEMBL1794475 0.84 CXCR4 (0.42) CXCR4DRD2DRD3MOGAT2ABCB1
SCHEMBL1204854 0.81 CXCR4 (0.42) CXCR4DRD2DRD3MOGAT2ABCB1
SCHEMBL14619669 0.81 CXCR4 (0.47) CXCR4DRD2DRD3MOGAT2ABCB1
SCHEMBL1204852 0.81 CXCR4 (0.67) CXCR4DRD2DRD3MOGAT2ABCB1
SCHEMBL1636324 0.80 CXCR4 (0.46) CXCR4DRD2DRD3
SCHEMBL12552340 0.80 CXCR4 (0.51) CXCR4DRD2DRD3MOGAT2PRMT5
SCHEMBL1638572 0.79 CXCR4 (0.45) CXCR4DRD2DRD3
SCHEMBL1794340 0.78 CXCR4 (0.54) CXCR4DRD2DRD3PRMT5WDR77
SCHEMBL1798336 0.77 DRD2 (0.50) DRD2DRD3MOGAT2ABCB1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 86/4885DRD2 175/4885DRD3 283/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885DRD2 257/4885DRD3 435/4885

“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.