SCHEMBL13859664

SCHEMBL13859664

CC(C)N(C)Cc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.54
TAAR1 Q96RJ0 3/20 0.53
PTGES O14684 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
RIPK1 Q13546 1/20 0.48
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAOB P27338 2/20 0.41
NR3C1 P04150 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL13859083 0.83 PYCR1 (0.56) PYCR1TAAR1PTGESSIGMAR1RIPK1
SCHEMBL578605 0.80 TAAR1 (0.66) PYCR1TAAR1PTGESSIGMAR1RIPK1
SCHEMBL31259003 0.80 PYCR1 (0.53) PYCR1TAAR1PTGESSIGMAR1RIPK1
SCHEMBL25465527 0.79 ADRA2B (0.43) SIGMAR1ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14024632 0.79 SLC6A2 (0.46) TAAR1PTGESIDO1ADRA2BADRA2C
SCHEMBL12089006 0.78 TAAR1 (0.53) TAAR1RIPK1IDO1AGXTADRA2B
SCHEMBL22388384 0.78 ADRA2B (0.46) TAAR1SIGMAR1ADRA2BADRA2CSLC6A2
SCHEMBL14841958 0.78 HSD17B1 (0.49) TAAR1OPRK1
SCHEMBL530326 0.76 ADRA2B (0.67) PYCR1TAAR1SIGMAR1ADRA2BADRA2C
SCHEMBL16399455 0.76 PYCR1 (0.65) PYCR1TAAR1PTGESSIGMAR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 PYCR1 1580/4885TAAR1 2726/4885PTGES 785/4885

“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.