SCHEMBL5000715

SCHEMBL5000715

CC(=O)c1ccccc1-c1cncc(N2CCN(c3ccc(F)cc3F)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 11/20 0.41
MTTP P55157 3/20 0.40
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 2/20 0.39
MAPT P10636 1/20 0.39
PARP1 P09874 1/20 0.39
SLC6A9 P48067 1/20 0.38

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
SCHEMBL4997581 0.82 PIM2 (0.48) ALDH1A1MAPTSLC6A9
SCHEMBL4994725 0.81 GRM5 (0.41) GRM5MAPTPARP1
SCHEMBL4996073 0.81 LMNA (0.52) ALDH1A1MAPT
SCHEMBL4995405 0.81 L3MBTL1 (0.46) ALDH1A1MAPTSLC6A9
SCHEMBL4996244 0.81 PIM1 (0.39) MAPTPARP1
SCHEMBL4997015 0.78 NPY2R (0.42) NPY2RALDH1A1MAPT
SCHEMBL4992025 0.78 NPC1 (0.47) ALDH1A1MAPT
SCHEMBL5000697 0.77 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL5000640 0.76 RAF1 (0.51) ALDH1A1MAPT
SCHEMBL5000846 0.76 CYP11B1 (0.47) MAPT

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 NPY2R 1004/4885MTTP 4471/4885ALDH1A1 1034/4885

“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.