SCHEMBL619590

SCHEMBL619590

C/C(=N\c1ccc(Br)cn1)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.58
ADRA2B P18089 9/20 0.58
ADRA2C P18825 9/20 0.58
PLAU P00749 3/20 0.58
GBA1 P04062 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOS1 P29475 2/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
CTH P32929 1/20 0.31

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
SCHEMBL619591 1.00 ADRA2A (0.58) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL31600623 1.00 ADRA2A (0.58) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL17221502 0.79 ADRA2A (0.58) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL17221501 0.79 ADRA2A (0.58) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL16795113 0.76 MEN1 (0.34) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL18128809 0.76 MEN1 (0.34) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL1354526 0.75 NOS3 (0.39) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL1354527 0.75 NOS3 (0.39) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL16792283 0.73
SCHEMBL18339066 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598163-B2 Derivatives of [1,3]Oxazin-2-one useful for the treatment of metabolic diseases such as lipid disorders VITAE PHARMACEUTICALS, INC. (US) 2013-12-03 US disclosed
EP-2393813-B1 Cyclic inhibitors of 11 ß-hydroxysteroid dehydrogenase 1 useful for the treatment of diseases related to elevated level of cortisol VITAE PHARMACEUTICALS INC (US) 2013-07-31 EP disclosed
US-20120040973-A1 DERIVATIVES OF [1,3]OXAZIN-2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS VITAE PHARMACEUTICALS, INC. (US) 2012-02-16 US 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-20120040973-A1 DERIVATIVES OF [1,3]OXAZIN-2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS HSD11B1, HSD11B2, HSD17B1 ADRA2A 1138/4885ADRA2B 951/4885ADRA2C 581/4885

“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.