SCHEMBL20964261

SCHEMBL20964261

CC1OCCc2ccsc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.57
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR7 P34969 1/20 0.57
KEAP1 Q14145 1/20 0.35

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
SCHEMBL14906850 1.00 TAAR1 (0.57) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL18723730 1.00 TAAR1 (0.57) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL2085299 0.80
SCHEMBL28945858 0.77 TAAR1 (0.57) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28515743 0.77 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28511084 0.77 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL21282227 0.77 TAAR1 (0.71) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28515741 0.77 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL30733601 0.77 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28511085 0.77 TAAR1 (0.60) 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 2 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-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 (2 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

“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.