SCHEMBL20694152

SCHEMBL20694152

CNCCC(C)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
CACNA2D1 P54289 8/20 0.46
ADRB2 P07550 1/20 0.37
MAPKAPK2 P49137 1/20 0.35
ALOX12 P18054 1/20 0.34
ADAM17 P78536 1/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL20213812 0.81 SLC6A2 (0.47) SLC6A2SLC6A4CACNA2D1ADRB2ALOX12
SCHEMBL1687706 0.79 KDM4E (0.36) SLC6A2SLC6A4MAPKAPK2KDM4ELMNA
SCHEMBL8557312 0.78 ALDH1A1 (0.37) SLC6A2SLC6A4CACNA2D1MAPKAPK2KDM4E
SCHEMBL5803213 0.78 ALDH1A1 (0.37) SLC6A2SLC6A4CACNA2D1MAPKAPK2KDM4E
SCHEMBL16357614 0.78 SLC6A2 (0.35) SLC6A2SLC6A4CACNA2D1MAPKAPK2ALOX12
SCHEMBL24087245 0.76 CTSK (0.37) SLC6A2SLC6A4MAPKAPK2KDM4ELMNA
SCHEMBL2087810 0.75 ALDH1A1 (0.34) SLC6A2SLC6A4CACNA2D1MAPKAPK2KDM4E
SCHEMBL24087824 0.75 KDM4E (0.35) SLC6A2SLC6A4CACNA2D1MAPKAPK2KDM4E
SCHEMBL4312352 0.75
SCHEMBL1532491 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS SLC6A2 3744/4885SLC6A4 4189/4885CACNA2D1 4246/4885

“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.