SCHEMBL2189971

SCHEMBL2189971

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.45
DRD2 P14416 1/20 0.33
LTA4H P09960 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
TP53 P04637 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL1637155 0.93 CXCR4 (0.44) CXCR4DRD2LTA4HTAAR1CTSD
SCHEMBL1638559 0.92 CXCR4 (0.48) CXCR4TAAR1CTSD
SCHEMBL1636559 0.91 CXCR4 (0.43) CXCR4PPARGPPARACTSD
SCHEMBL1637121 0.89 CXCR4 (0.45) CXCR4DRD2TAAR1
SCHEMBL1638158 0.89 CXCR4 (0.41) CXCR4PPARGPPARACTSD
SCHEMBL1637226 0.89 CXCR4 (0.57) CXCR4LTA4HTP53CTSD
SCHEMBL1637214 0.89 CXCR4 (0.48) CXCR4TAAR1CTSD
SCHEMBL1638011 0.89 CXCR4 (0.42) CXCR4DRD2LTA4HPPARGPPARA
SCHEMBL1637975 0.89 CXCR4 (0.51) CXCR4PPARGPPARATAAR1
SCHEMBL1637481 0.88 CXCR4 (0.41) CXCR4PPARGPPARATAAR1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.