SCHEMBL14903754

SCHEMBL14903754

CN(C)CC1OCCc2ccsc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 12/20 1.00
HTR1A P08908 1/20 0.64
DRD2 P14416 1/20 0.64
HTR7 P34969 1/20 0.64
KEAP1 Q14145 1/20 0.40
SLC6A4 P31645 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL21290263 0.88 TAAR1 (0.78) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL21290839 0.88 TAAR1 (0.78) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL15679325 0.88 TAAR1 (0.78) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28945890 0.85 TAAR1 (0.74) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28945878 0.83 TAAR1 (0.71) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL21282227 0.82 TAAR1 (0.71) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL30487344 0.81 TAAR1 (0.67) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL29140408 0.80 TAAR1 (0.66) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL29140409 0.80 TAAR1 (0.66) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903730 0.79 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-20220062229-A1 METHODS OF TREATING SCHIZOPHRENIA SUNOVION PHARMACEUTICALS INC. (US) 2022-03-03 US disclosed
US-11129807-B2 Methods of treating schizophrenia SUNOVION PHARMACEUTICALS INC. (US) 2021-09-28 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-10-15 US disclosed
US-20200129477-A1 METHODS OF TREATING SCHIZOPHRENIA SUNOVION PHARMACEUTICALS INC. (US) 2020-04-30 US disclosed
US-20190125722-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-05-02 US disclosed
EP-3252057-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2017-12-06 EP disclosed
EP-2507245-B1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2017-04-12 EP disclosed
US-9351954-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-31 US disclosed
US-9351954-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-31 US disclosed
US-20160083399-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PGI DRUG DISCOVERY LLC. 2016-03-24 US disclosed
US-20160083399-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PGI DRUG DISCOVERY LLC. 2016-03-24 US disclosed
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof PSYCHOGENICS INC. (US) 2014-09-11 US disclosed
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof PSYCHOGENICS INC. (US) 2014-09-11 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 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 (10 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-20190125722-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT TAAR1 2272/4885HTR1A 394/4885DRD2 308/4885
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT TAAR1 2272/4885HTR1A 394/4885DRD2 308/4885
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT TAAR1 2272/4885HTR1A 394/4885DRD2 308/4885
US-20220062229-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A TAAR1 755/4885HTR1A 270/4885DRD2 292/4885
US-10894033-B2 Multicyclic compounds and methods of use thereof GRIN2C, NLN, COMT TAAR1 2272/4885HTR1A 394/4885DRD2 308/4885
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof GRIN2C, NLN, COMT TAAR1 2272/4885HTR1A 394/4885DRD2 308/4885
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT TAAR1 2272/4885HTR1A 394/4885DRD2 308/4885
US-20160083399-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT TAAR1 2272/4885HTR1A 394/4885DRD2 308/4885
US-20200129477-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A TAAR1 755/4885HTR1A 270/4885DRD2 292/4885
US-11129807-B2 Methods of treating schizophrenia CHAT, GAP43, GRIN2A TAAR1 755/4885HTR1A 270/4885DRD2 292/4885

“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.