SCHEMBL9918834

SCHEMBL9918834

C#CCC(c1cccc(Br)c1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 1/20 0.41
PYCR1 P32322 2/20 0.40
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAOA P21397 1/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KCNA5 P22460 1/20 0.33
PARP1 P09874 1/20 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
SCHEMBL9918205 0.83 CYP3A4 (0.41) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9918839 0.82 PYCR1 (0.35) PYCR1
SCHEMBL9918846 0.80 AOC3 (0.41) CYP2D6SLC6A2SLC6A4SLC6A3PYCR1
SCHEMBL9918863 0.80 CYP3A4 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9918853 0.78 AOC3 (0.46) SLC6A2TAAR1
SCHEMBL26451860 0.77 CYP3A4 (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL14790978 0.75 PYCR1 (0.31) PYCR1ALDH1A1MAPK1
SCHEMBL9918217 0.75 PTGS1 (0.50) CYP2D6TAAR1
SCHEMBL9918861 0.75 ANPEP (0.48) CYP3A4ALDH1A1MAPK1TAAR1PARP1
SCHEMBL9918859 0.74 PYCR1 (0.30) PYCR1

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CYP3A4 2082/4885CYP2D6 1888/4885SLC6A2 4674/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CYP3A4 1570/4885CYP2D6 1677/4885SLC6A2 4760/4885

“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.