SCHEMBL19821177

SCHEMBL19821177

CN(CC1OCCc2c(Br)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.35
DRD1 P21728 3/20 0.33
PTGDR Q13258 1/20 0.33
IDH1 O75874 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ACHE P22303 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
THRB P10828 1/20 0.31
SPR P35270 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL29981118 1.00 UCHL1 (0.35) UCHL1DRD1PTGDRIDH1ADRA2A
SCHEMBL29980839 1.00 UCHL1 (0.35) UCHL1DRD1PTGDRIDH1ADRA2A
SCHEMBL29981159 1.00 UCHL1 (0.35) UCHL1DRD1PTGDRIDH1ADRA2A
SCHEMBL20700266 0.95 UCHL1 (0.36) UCHL1PTGDRIDH1ADRA2AADRA2B
SCHEMBL30030579 0.87 HTR2C (0.34) DRD1PTGDRIDH1ADRA2AADRA2B
SCHEMBL30030424 0.87 HTR2C (0.34) DRD1PTGDRIDH1ADRA2AADRA2B
SCHEMBL19821161 0.87 HTR2C (0.34) DRD1PTGDRIDH1ADRA2AADRA2B
SCHEMBL30029677 0.87 HTR2C (0.34) DRD1PTGDRIDH1ADRA2AADRA2B
SCHEMBL19821159 0.87 HTR2C (0.34) DRD1PTGDRIDH1ADRA2AADRA2B
SCHEMBL19821160 0.87 HTR2C (0.34) DRD1PTGDRIDH1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661929-B1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-07-14 EP disclosed
WO-2019028165-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-02-07 WO disclosed
WO-2018023072-A2 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 WO disclosed
US-20180030064-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. 2018-02-01 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-20180030064-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF CHAT, ACHE, MAOB UCHL1 634/4885DRD1 792/4885PTGDR 255/4885

“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.