SCHEMBL5147591

SCHEMBL5147591

CC(C)(C)OC(=O)NCCCc1cnn(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
DRD2 P14416 4/20 0.37
NAMPT P43490 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 1/20 0.36
SCN9A Q15858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
CACNA1G O43497 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
SCHEMBL5151740 0.83 NQO2 (0.39) SIGMAR1DRD2NAMPTIDO1SCN9A
SCHEMBL5148509 0.80 KDM4A (0.34) SIGMAR1NAMPTIDO1SCN9ACKS1B
SCHEMBL5148605 0.77 SIGMAR1 (0.43) SIGMAR1DRD2NAMPTNPSR1IDO1
SCHEMBL27603550 0.75 SIGMAR1 (0.38) SIGMAR1DRD2NPSR1IDO1
SCHEMBL6065295 0.75 IDO1 (0.33) SIGMAR1DRD2NAMPTIDO1SCN9A
SCHEMBL5151955 0.71 DRD2 (0.39) SIGMAR1DRD2IDO1SCN9ACYP3A4
SCHEMBL5148583 0.67 CKS1B (0.37) SIGMAR1NAMPTCKS1BSKP1SKP2
SCHEMBL4583683 0.67 POLB (0.65) SIGMAR1NPSR1IDO1
SCHEMBL28822145 0.67 CA12 (0.49) SIGMAR1DRD2NPSR1IDO1
SCHEMBL375762 0.67 MEN1 (0.48) SIGMAR1DRD2NAMPTNPSR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 US disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 EP disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 US disclosed
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO 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-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 SIGMAR1 620/4885DRD2 1184/4885NAMPT 4105/4885

“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.