SCHEMBL4994725

SCHEMBL4994725

OCc1ccccc1-c1cncc(N2CCN(c3ccc(F)cc3F)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PIM1 P11309 4/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PHGDH O43175 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
SCHEMBL4996244 0.85 PIM1 (0.39) ADRA1DADRA1AADRA1BMAPTLMNA
SCHEMBL5000715 0.81 NPY2R (0.41) GRM5MAPTPARP1
SCHEMBL5003173 0.81 CYP11B1 (0.44) GRM5ADRA1DADRA1AADRA1BMAPT
SCHEMBL5000846 0.78 CYP11B1 (0.47) MAPTLMNANFKB1NFKB2RELA
SCHEMBL4997591 0.77 CYP11B1 (0.47) MAPTLMNANFKB1NFKB2RELA
SCHEMBL4995524 0.74 DCK (0.41) GRM5MAPTLMNANFKB1NFKB2
SCHEMBL4991829 0.74 CYP11B1 (0.46) MAPTLMNASMN1; SMN2DRD2DRD4
SCHEMBL5003458 0.74 PHGDH (0.46) GRM5MAPTLMNANFKB1NFKB2
SCHEMBL4992244 0.73 HTR7 (0.53) MAPTNPSR1DRD2DRD4DRD3
SCHEMBL5003010 0.73 KMT2A (0.39) MAPTLMNASMN1; SMN2NPSR1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C GRM5 223/4885ADRA1D 350/4885ADRA1A 542/4885

“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.