SCHEMBL25569848

SCHEMBL25569848

CC(C(=O)c1ccc2ccsc2c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.34
HTR3A P46098 3/20 0.34
PAX8 Q06710 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
NPY5R Q15761 1/20 0.32
GBA1 P04062 1/20 0.31
HSP90AB1 P08238 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL25569912 1.00 CHRNA7 (0.34) CHRNA7HTR3APAX8HTR3EHTR3B
SCHEMBL25569913 1.00 CHRNA7 (0.34) CHRNA7HTR3APAX8HTR3EHTR3B
SCHEMBL25569832 0.91 CTNNB1 (0.40) CHRNA7HTR3APAX8AAK1MRGPRX4
SCHEMBL25569901 0.91 CTNNB1 (0.40) CHRNA7HTR3APAX8AAK1MRGPRX4
SCHEMBL25569902 0.91 CTNNB1 (0.40) CHRNA7HTR3APAX8AAK1MRGPRX4
SCHEMBL25569846 0.79 AAK1 (0.32) PAX8AAK1MRGPRX4OPRM1OPRK1
SCHEMBL25569868 0.78 OPRM1 (0.38) PAX8AAK1MRGPRX4OPRM1OPRK1
SCHEMBL25569892 0.78 OPRM1 (0.38) PAX8AAK1MRGPRX4OPRM1OPRK1
SCHEMBL25569886 0.78 OPRM1 (0.38) PAX8AAK1MRGPRX4OPRM1OPRK1
SCHEMBL3962061 0.77 PAX8 (0.47) CHRNA7HTR3APAX8HTR3EHTR3B

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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 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 (1 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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT SLC6A3, CREBBP, SLC1A2 CHRNA7 408/4885HTR3A 402/4885PAX8 1892/4885

“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.