SCHEMBL13859083

SCHEMBL13859083

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.56
TAAR1 Q96RJ0 3/20 0.50
PTGES O14684 1/20 0.50
SIGMAR1 Q99720 3/20 0.49
RIPK1 Q13546 1/20 0.45
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
MAOB P27338 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR3C1 P04150 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13859664 0.83 PYCR1 (0.54) PYCR1TAAR1PTGESSIGMAR1RIPK1
SCHEMBL17266739 0.78 TAAR1 (0.47) TAAR1PTGESIDO1NR3C1MEN1
SCHEMBL578605 0.78 TAAR1 (0.66) PYCR1TAAR1PTGESSIGMAR1RIPK1
SCHEMBL13859022 0.77 TAAR1 (0.50) TAAR1RIPK1IDO1AGXTMEN1
SCHEMBL16399455 0.77 PYCR1 (0.65) PYCR1TAAR1PTGESSIGMAR1RIPK1
SCHEMBL1639815 0.75 HDAC1 (0.55) PYCR1TAAR1MAOBHDAC1HDAC8
SCHEMBL28464025 0.75 PYCR1 (0.53) PYCR1TAAR1PTGESSIGMAR1RIPK1
SCHEMBL20871293 0.75 PYCR1 (0.47) PYCR1TAAR1PTGESSIGMAR1RIPK1
SCHEMBL608453 0.74 TSHR (0.54) PYCR1TAAR1MAOBHDAC1HDAC8
SCHEMBL2930128 0.74 PYCR1 (0.53) 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.