SCHEMBL6657761

SCHEMBL6657761

CCC(CC)NCCC[C@H](NC(=O)c1ccc(CNCc2nccn2C)c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.43
CNR2 P34972 2/20 0.36
TGM2 P21980 1/20 0.35
MITF O75030 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
OPRK1 P41145 1/20 0.33

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
SCHEMBL6654738 0.87 CXCR4 (0.42) CXCR4CNR2TGM2
SCHEMBL6651838 0.87 CXCR4 (0.43) CXCR4CNR2TGM2MITFOPRM1
SCHEMBL6652671 0.86 CXCR4 (0.44) CXCR4CNR2TGM2MITFOPRM1
SCHEMBL6657754 0.82 CXCR4 (0.41) CXCR4CNR2METAP2METAP1
SCHEMBL6018231 0.82 FOLH1 (0.41) TGM2
SCHEMBL6652095 0.81 CXCR4 (0.60) CXCR4TGM2METAP2METAP1
SCHEMBL6658361 0.79 CXCR4 (0.40) CXCR4CNR2METAP2METAP1
SCHEMBL6018396 0.79 TGM2 (0.37) CXCR4TGM2
SCHEMBL6652792 0.78 CXCR4 (0.58) CXCR4TGM2METAP2METAP1
SCHEMBL6694422 0.77 FOLH1 (0.47) CNR2TGM2

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 88/4885CNR2 932/4885TGM2 2223/4885

“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.