SCHEMBL20964280

SCHEMBL20964280

BC(B)(B)NC[C@@H]1OCCc2c(C)csc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 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
SCHEMBL20964218 1.00 TAAR1 (0.38) TAAR1HTR1ADRD2HTR7
SCHEMBL14903724 0.83 TAAR1 (0.55) TAAR1HTR1ADRD2HTR7
SCHEMBL14903721 0.83 TAAR1 (0.55) TAAR1HTR1ADRD2HTR7
SCHEMBL14903751 0.83 TAAR1 (0.55) TAAR1HTR1ADRD2HTR7
SCHEMBL19674431 0.81 TAAR1 (0.34) TAAR1HTR1ADRD2HTR7
SCHEMBL20964144 0.78 TAAR1 (0.39) TAAR1HTR1ADRD2HTR7
SCHEMBL20964273 0.78 TAAR1 (0.39) TAAR1HTR1ADRD2HTR7
SCHEMBL18723703 0.78 TAAR1 (0.39) TAAR1HTR1ADRD2HTR7
SCHEMBL14903723 0.77 TAAR1 (0.50) TAAR1HTR1ADRD2HTR7
SCHEMBL14903722 0.77 TAAR1 (0.50) TAAR1HTR1ADRD2HTR7

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-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.