SCHEMBL20700071

SCHEMBL20700071

NCC1OCc2c(-c3cccnc3)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1B P35368 2/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CYP2A6 P11509 6/20 0.41
DHPS P49366 2/20 0.40
DRD1 P21728 3/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TDO2 P48775 1/20 0.39
HPGDS O60760 1/20 0.39
CYP2E1 P05181 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 5/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2B6 P20813 4/20 0.38
CYP1A2 P05177 3/20 0.38

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
SCHEMBL20700068 1.00 ADRA2A (0.50) ADRA2AADRA1AADRA1DADRA1BADRA2B
SCHEMBL29981056 1.00 ADRA2A (0.50) ADRA2AADRA1AADRA1DADRA1BADRA2B
SCHEMBL20700430 1.00 ADRA2A (0.50) ADRA2AADRA1AADRA1DADRA1BADRA2B
Hydrochloric Acid SCHEMBL20700831 0.99 ADRA2A (0.49) ADRA2AADRA1AADRA1DADRA1BADRA2B
Hydrochloric Acid SCHEMBL20700112 0.99 ADRA2A (0.49) ADRA2AADRA1AADRA1DADRA1BADRA2B
Hydrochloric Acid SCHEMBL20700113 0.99 ADRA2A (0.49) ADRA2AADRA1AADRA1DADRA1BADRA2B
SCHEMBL20700305 0.88 ADRA1A (0.44) ADRA2AADRA1AADRA1DADRA1BCYP2A6
SCHEMBL20718138 0.87 DRD1 (0.53) ADRA2AADRA1AADRA1DADRA1BADRA2B
SCHEMBL20718036 0.87 DRD1 (0.53) ADRA2AADRA1AADRA1DADRA1BADRA2B
SCHEMBL20718078 0.87 DRD1 (0.53) ADRA2AADRA1AADRA1DADRA1BADRA2B

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 13 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 claimed
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 ADRA2A 1042/4885ADRA1A 1181/4885ADRA1D 1267/4885
US-10780074-B2 Compounds and uses thereof PYGB, NLN, MAOB ADRA2A 1042/4885ADRA1A 1181/4885ADRA1D 1267/4885
US-20190038594-A1 COMPOUNDS AND USES THEREOF PYGB, NLN, MAOB ADRA2A 1042/4885ADRA1A 1181/4885ADRA1D 1267/4885
US-11491133-B2 Heteroaryl-isochroman compounds and uses thereof GRIN2C, INA, SDHA ADRA2A 517/4885ADRA1A 784/4885ADRA1D 886/4885

“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.