SCHEMBL20700136

SCHEMBL20700136

CN(C[C@@H]1OCCc2c(-c3ccncc3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
BUB1 O43683 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
PTGDR Q13258 1/20 0.34
SCN9A Q15858 4/20 0.33
KCNH2 Q12809 3/20 0.33
SCN5A Q14524 2/20 0.33
GPR119 Q8TDV5 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
UCHL1 P09936 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1D P25100 1/20 0.31

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
SCHEMBL29981309 1.00 MGLL (0.35) MGLLABHD6BRD4CREBBPBUB1
SCHEMBL20700434 1.00 MGLL (0.35) MGLLABHD6BRD4CREBBPBUB1
SCHEMBL20699928 1.00 MGLL (0.35) MGLLABHD6BRD4CREBBPBUB1
SCHEMBL20700569 0.95 MGLL (0.35) MGLLABHD6BRD4CREBBPBUB1
SCHEMBL20718693 0.91 ADRA2A (0.38) PTGDRSCN9AKCNH2SCN5AGPR119
SCHEMBL20699938 0.91 GPR119 (0.34) BRD4CREBBPPTGDRGPR119UCHL1
SCHEMBL20700711 0.91 GPR119 (0.34) BRD4CREBBPPTGDRGPR119UCHL1
SCHEMBL29981344 0.91 GPR119 (0.34) BRD4CREBBPPTGDRGPR119UCHL1
SCHEMBL20699941 0.91 GPR119 (0.34) BRD4CREBBPPTGDRGPR119UCHL1
SCHEMBL20700156 0.90 ADRA2A (0.37) MGLLABHD6BRD4CREBBPBUB1

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 12 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
EP-3661929-B1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-07-14 EP disclosed
EP-3661929-B1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-07-14 EP disclosed
US-20210093606-A1 COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2021-04-01 US disclosed
US-20210093606-A1 COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2021-04-01 US disclosed
US-10780074-B2 Compounds and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-09-22 US disclosed
US-10780074-B2 Compounds and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-09-22 US disclosed
EP-3661929-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF Sunovion Pharmaceuticals Inc. (US) 2020-06-10 EP disclosed
US-20190038594-A1 COMPOUNDS AND USES THEREOF PGI DRUG DISCOVERY LLC 2019-02-07 US disclosed
US-20190038594-A1 COMPOUNDS AND USES THEREOF PGI DRUG DISCOVERY LLC 2019-02-07 US disclosed
WO-2019028165-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-02-07 WO disclosed
WO-2019028165-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-02-07 WO 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 (4 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 MGLL 2310/4885ABHD6 2023/4885BRD4 3128/4885
US-10780074-B2 Compounds and uses thereof PYGB, NLN, MAOB MGLL 2310/4885ABHD6 2023/4885BRD4 3128/4885
US-20190038594-A1 COMPOUNDS AND USES THEREOF PYGB, NLN, MAOB MGLL 2310/4885ABHD6 2023/4885BRD4 3128/4885
US-11491133-B2 Heteroaryl-isochroman compounds and uses thereof GRIN2C, INA, SDHA MGLL 1749/4885ABHD6 1885/4885BRD4 1081/4885

“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.