SCHEMBL6658441

SCHEMBL6658441

C[C@H](NC(=O)[C@H](CCCNC1CCCCC1)NC(=O)c1ccc(CNC(CCO)c2ncc[nH]2)cc1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.47
CASR P41180 4/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
MAPK14 Q16539 5/20 0.36
DDR1 Q08345 1/20 0.36
DDR2 Q16832 1/20 0.36
CYP2D6 P10635 2/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 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
SCHEMBL6658356 0.89 CXCR4 (0.37) CXCR4CASRMETAP2METAP1CYP2D6
SCHEMBL6654017 0.86 CXCR4 (0.54) CXCR4CASRMETAP2METAP1MAPK14
SCHEMBL6656129 0.85 CXCR4 (0.47) CXCR4CASRMETAP2METAP1ADRA2A
SCHEMBL6652415 0.85 CXCR4 (0.49) CXCR4CASRMETAP2METAP1ROCK2
SCHEMBL6652092 0.83 CXCR4 (0.55) CXCR4CASRMETAP2METAP1ROCK2
SCHEMBL6655100 0.82 CXCR4 (0.54) CXCR4CASRMETAP2METAP1ROCK2
SCHEMBL6651943 0.81 CXCR4 (0.51) CXCR4CASRMETAP2METAP1ROCK2
SCHEMBL6658438 0.80 CXCR4 (0.52) CXCR4CASRMETAP2METAP1MAPK14
SCHEMBL6657911 0.79 CXCR4 (0.51) CXCR4CASRMETAP2METAP1ROCK2
SCHEMBL6653276 0.79 CXCR4 (0.53) CXCR4CASR

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 88/4885CASR 4811/4885METAP2 3737/4885

“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.