SCHEMBL6131484

SCHEMBL6131484

CCCN(CCC)CCCCNC(=O)c1ccc(CNC(Cc2ncc[nH]2)[C@H]2CCCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.49
DRD4 P21917 10/20 0.42
DRD3 P35462 10/20 0.42
DRD2 P14416 5/20 0.42
NAMPT P43490 5/20 0.38
DRD1 P21728 8/20 0.38
HTR2C P28335 8/20 0.38
DRD5 P21918 3/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL6131509 1.00 CXCR4 (0.49) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL4208333 0.79 CXCR4 (0.56) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL1206180 0.79 CXCR4 (0.51) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL1206493 0.79 CXCR4 (0.51) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL6131602 0.79 CXCR4 (0.53) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL12507647 0.78 CXCR4 (0.68) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL6131485 0.77 CXCR4 (0.51) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL4204384 0.76 DRD4 (0.54) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL1638431 0.76 CXCR4 (0.52) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL4209786 0.75 CXCR4 (0.67) CXCR4DRD4DRD3DRD2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP claimed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 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 (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-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 CXCR4 90/4885DRD4 957/4885DRD3 469/4885

“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.