SCHEMBL6652952

SCHEMBL6652952

CCCN(CCC)CCC[C@H](NC(=O)c1ccc(CNC(C)c2ncc[nH]2)cc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TLR2 O60603 1/20 0.39
CTSD P07339 1/20 0.39
MAPK14 Q16539 2/20 0.38
DDR1 Q08345 1/20 0.38
DDR2 Q16832 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
PADI4 Q9UM07 2/20 0.37
PADI2 Q9Y2J8 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6653685 0.89 CXCR4 (0.40) CXCR4DRD2DRD4DRD3L3MBTL1
SCHEMBL6659666 0.87 HDAC3 (0.46) KMT2ACTSL
SCHEMBL6653370 0.87 CXCR4 (0.42) CXCR4DRD2DRD4DRD3MAPK14
SCHEMBL6653573 0.86 CXCR4 (0.51) CXCR4DRD2DRD4DRD3L3MBTL1
SCHEMBL6656540 0.83 CXCR4 (0.52) CXCR4
SCHEMBL6655745 0.82 CXCR4 (0.50) CXCR4DRD2DRD4DRD3L3MBTL1
SCHEMBL1638431 0.81 CXCR4 (0.52) CXCR4DRD2DRD4DRD3L3MBTL1
SCHEMBL6654654 0.81 CXCR4 (0.43) CXCR4DRD2DRD4DRD3MAPK14
SCHEMBL6652949 0.79 KMT2A (0.42) CXCR4DRD2DRD4DRD3L3MBTL1
SCHEMBL6658151 0.77 GAA (0.35) DRD2DRD4DRD3L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US claimed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 EP claimed
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US disclosed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 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-20040254221-A1 Novel Nitrogenous Compound and use thereof NGLY1, NOD1, CCR1 CXCR4 88/4885DRD2 542/4885DRD4 484/4885

“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.