SCHEMBL2037558

SCHEMBL2037558

CNCC[C@@H]1OCCc2ccsc21

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 12/20 0.76
HTR1A P08908 1/20 0.76
DRD2 P14416 1/20 0.76
HTR7 P34969 1/20 0.76
KEAP1 Q14145 1/20 0.39
HTR2A P28223 1/20 0.33
HRH1 P35367 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
SCHEMBL14903760 1.00 TAAR1 (0.76) TAAR1HTR1ADRD2HTR7KEAP1
Hydrochloric Acid SCHEMBL28514686 0.98 TAAR1 (0.74) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL20964274 0.87 TAAR1 (0.66) TAAR1HTR1ADRD2HTR7KEAP1
Ulotaront SCHEMBL14903737 0.86 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
Ulotaront SCHEMBL12644523 0.86 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
Ulotaront SCHEMBL14903727 0.86 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
Ulotaront SCHEMBL21273312 0.85 TAAR1 (0.97) TAAR1HTR1ADRD2HTR7KEAP1
Ulotaront SCHEMBL21273308 0.85 TAAR1 (0.97) TAAR1HTR1ADRD2HTR7KEAP1
Ulotaront SCHEMBL21273309 0.85 TAAR1 (0.97) TAAR1HTR1ADRD2HTR7KEAP1
Ulotaront SCHEMBL28517004 0.85 TAAR1 (0.97) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11738002-B2 Methods of treating neurological and psychiatric disorders SUNOVION PHARMACEUTICALS INC. (US) 2023-08-29 US disclosed
US-20210315859-A1 METHODS OF TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS SUMITOMO PHARMA AMERICA, INC. 2021-10-14 US disclosed
US-20200179336-A1 METHODS OF TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2020-06-11 US disclosed
WO-2019161236-A1 METHODS OF TREATING SOCIAL FUNCTION DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-08-22 WO disclosed
US-20190125722-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-05-02 US disclosed
EP-2507245-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-10-10 EP disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 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-20190125722-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT TAAR1 2272/4885HTR1A 394/4885DRD2 308/4885
US-20200179336-A1 METHODS OF TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRIN2A, SLC6A3, GRIN2C TAAR1 131/4885HTR1A 27/4885DRD2 20/4885
US-11738002-B2 Methods of treating neurological and psychiatric disorders GRIN2A, SLC6A3, GRIN2C TAAR1 131/4885HTR1A 27/4885DRD2 20/4885
US-20210315859-A1 METHODS OF TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRIN2A, SLC6A3, GRIN2C TAAR1 131/4885HTR1A 27/4885DRD2 20/4885

“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.