SCHEMBL251767

SCHEMBL251767

CN1CC(C)(c2cccc(Br)c2)NC(=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HSD11B1 P28845 1/20 0.36
BRD4 O60885 1/20 0.35
MGAT2 Q10469 1/20 0.34
CISD1 Q9NZ45 2/20 0.33

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
SCHEMBL2171250 0.81 CHRNA1 (0.38) ALDH1A1KMT2AMEN1CHRNA1CHRNG
SCHEMBL12524646 0.80 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1CHRNA1CHRNG
SCHEMBL246484 0.80 KDM1A (0.43) ALDH1A1KMT2AMEN1CHRNA1CHRNG
SCHEMBL12497658 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1CHRNA1CHRNG
SCHEMBL12497659 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1CHRNA1CHRNG
SCHEMBL252703 0.76 MEN1 (0.37) KMT2AMEN1BRD4CTSDBACE1
SCHEMBL9959233 0.75 NPSR1 (0.36) ALDH1A1KMT2AMEN1CHRNA1CHRNG
SCHEMBL9958909 0.75 NPSR1 (0.36) ALDH1A1KMT2AMEN1CHRNA1CHRNG
SCHEMBL14617518 0.72 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1CHRNA1CHRNG
SCHEMBL7526798 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585440-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
US-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 WO disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 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-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA BACE2, BACE1, PSEN2 ALDH1A1 3795/4885KMT2A 2045/4885MEN1 1207/4885

“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.