SCHEMBL22600348

SCHEMBL22600348

CC(C)CCc1ccccc1NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
IDO1 P14902 1/20 0.36
SCD O00767 3/20 0.34
P2RX7 Q99572 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
MAP1LC3A Q9H492 1/20 0.33
DHODH Q02127 1/20 0.33
OPRK1 P41145 2/20 0.33
CACNA1F O60840 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 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
SCHEMBL12403838 0.79 ADRA2B (0.42) SLC6A3SLC6A2SLC6A4IDO1P2RX7
SCHEMBL6937591 0.78 SLC6A2 (0.42) SLC6A3SLC6A2SLC6A4SCDP2RX7
SCHEMBL19295450 0.78 IDO1 (0.38) IDO1HTTRIPK1
SCHEMBL5482168 0.76 ABCB1 (0.41) ALDH1A1MAPTHTT
SCHEMBL10408257 0.76 CYP2C19 (0.41) SLC6A3SLC6A2SLC6A4SCDADRA2B
SCHEMBL31517195 0.76 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4DHODHALDH1A1
SCHEMBL7630645 0.76 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4DHODHALDH1A1
SCHEMBL21082097 0.75 ALDH1A1 (0.46) IDO1ALDH1A1MAPTHTT
SCHEMBL23188990 0.74 TSHR (0.38) SLC6A3SLC6A2SLC6A4SCDP2RX7
SCHEMBL14131005 0.72 TSHR (0.49) SCDL3MBTL1ALDH1A1HTT

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-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2020-10-29 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-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF PARK7, HTT, PRDX5 SLC6A3 1114/4885SLC6A2 2106/4885SLC6A4 1612/4885

“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.