SCHEMBL25569892

SCHEMBL25569892

C[C@H](Cc1ccc2ccsc2c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
ACACB O00763 2/20 0.33
PAX8 Q06710 1/20 0.33
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MAOB P27338 1/20 0.32
GRM2 Q14416 1/20 0.32
CCR9 P51686 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL25569886 1.00 OPRM1 (0.38) OPRM1OPRK1BCHEACHEMRGPRX4
SCHEMBL25569868 1.00 OPRM1 (0.38) OPRM1OPRK1BCHEACHEMRGPRX4
SCHEMBL25569880 0.91 CYP2A6 (0.40) OPRM1OPRK1BCHEACHEMRGPRX4
SCHEMBL25569882 0.91 CYP2A6 (0.40) OPRM1OPRK1BCHEACHEMRGPRX4
SCHEMBL25569865 0.91 CYP2A6 (0.40) OPRM1OPRK1BCHEACHEMRGPRX4
SCHEMBL13748638 0.79 ALOX15 (0.49) OPRK1BCHEACHEAAK1
SCHEMBL25569846 0.78 AAK1 (0.32) OPRM1OPRK1MRGPRX4AAK1PAX8
SCHEMBL25569848 0.78 CHRNA7 (0.34) OPRM1OPRK1MRGPRX4AAK1PAX8
SCHEMBL25569913 0.78 CHRNA7 (0.34) OPRM1OPRK1MRGPRX4AAK1PAX8
SCHEMBL25569912 0.78 CHRNA7 (0.34) OPRM1OPRK1MRGPRX4AAK1PAX8

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 OPRM1 1733/4885OPRK1 1113/4885BCHE 897/4885

“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.