SCHEMBL23148192

SCHEMBL23148192

CC(C)(C)N(CC1OCCc2c(Br)cccc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GID4 Q8IVV7 1/20 0.33
PTGDR Q13258 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
MAPT P10636 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
HTT P42858 2/20 0.30
THRB P10828 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
SCHEMBL19812961 0.84 DRD1 (0.37) DRD1ALDH1A1LMNAKMT2AGID4
SCHEMBL29981118 0.79 UCHL1 (0.35) DRD1ALDH1A1PTGDRADRA2AADRA2B
SCHEMBL29980839 0.79 UCHL1 (0.35) DRD1ALDH1A1PTGDRADRA2AADRA2B
SCHEMBL29981159 0.79 UCHL1 (0.35) DRD1ALDH1A1PTGDRADRA2AADRA2B
SCHEMBL19821177 0.79 UCHL1 (0.35) DRD1ALDH1A1PTGDRADRA2AADRA2B
SCHEMBL20703964 0.79 ADRA2A (0.35) DRD1ALDH1A1GID4PTGDRTSHR
SCHEMBL7406722 0.77 DRD1 (0.41) DRD1ALDH1A1LMNAKMT2AGID4
SCHEMBL286681 0.76 DRD1 (0.39) DRD1ALDH1A1GID4HTR2C
SCHEMBL2039585 0.75 LMNA (0.30) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL2034863 0.75 TAAR1 (0.51) LMNATSHR

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-11491133-B2 Heteroaryl-isochroman compounds and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-11-08 US disclosed
US-20210093606-A1 COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2021-04-01 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 (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-20210093606-A1 COMPOUNDS AND USES THEREOF PYGB, NLN, MAOB DRD1 1110/4885ALDH1A1 178/4885LMNA 1614/4885
US-11491133-B2 Heteroaryl-isochroman compounds and uses thereof GRIN2C, INA, SDHA DRD1 1458/4885ALDH1A1 704/4885LMNA 2370/4885

“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.