SCHEMBL6652092

SCHEMBL6652092

CC(NCCC[C@H](NC(=O)c1ccc(CNC(C)c2ncc[nH]2)cc1)C(=O)N[C@@H](C)c1cccc2ccccc12)c1ncc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.55
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
METAP2 P50579 3/20 0.39
METAP1 P53582 3/20 0.39
CASR P41180 1/20 0.39
EPHX2 P34913 2/20 0.39
PPARG P37231 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
BMP1 P13497 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36

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
SCHEMBL6655100 0.93 CXCR4 (0.54) CXCR4ADRA2AADRA2BADRA2CMETAP2
SCHEMBL6653747 0.93 CXCR4 (0.53) CXCR4ADRA2AADRA2BADRA2CMETAP2
SCHEMBL6655045 0.93 CXCR4 (0.57) CXCR4ADRA2AADRA2BADRA2CMETAP2
SCHEMBL6656540 0.90 CXCR4 (0.52) CXCR4ADRA2AADRA2BADRA2CMETAP2
SCHEMBL6677932 0.89 CXCR4 (0.49) CXCR4ADRA2AADRA2BADRA2CMETAP2
SCHEMBL6655027 0.89 CXCR4 (0.51) CXCR4ADRA2AADRA2BADRA2CMETAP2
SCHEMBL6653537 0.88 CXCR4 (0.50) CXCR4ADRA2AADRA2BADRA2CMETAP2
SCHEMBL6658144 0.84 CXCR4 (0.61) CXCR4METAP2METAP1CASREPHX2
SCHEMBL6657911 0.84 CXCR4 (0.51) CXCR4ADRA2AADRA2BADRA2CMETAP2
SCHEMBL6651943 0.84 CXCR4 (0.51) CXCR4ADRA2AADRA2BADRA2CMETAP2

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 88/4885ADRA2A 4082/4885ADRA2B 3791/4885

“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.