SCHEMBL25569880

SCHEMBL25569880

C[C@H](Cc1ccc2sccc2c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
PTPRC P08575 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HTR2C P28335 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PAX8 Q06710 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
SCHEMBL25569882 1.00 CYP2A6 (0.40) CYP2A6OPRM1OPRK1BCHEACHE
SCHEMBL25569865 1.00 CYP2A6 (0.40) CYP2A6OPRM1OPRK1BCHEACHE
SCHEMBL25569886 0.91 OPRM1 (0.38) OPRM1OPRK1BCHEACHEMRGPRX4
SCHEMBL25569868 0.91 OPRM1 (0.38) OPRM1OPRK1BCHEACHEMRGPRX4
SCHEMBL25569892 0.91 OPRM1 (0.38) OPRM1OPRK1BCHEACHEMRGPRX4
SCHEMBL25569878 0.86 CYP2A6 (0.38) CYP2A6OPRM1OPRK1PTPRCPTPN6
SCHEMBL13748638 0.79 ALOX15 (0.49) OPRK1BCHEACHEAAK1
SCHEMBL25569902 0.78 CTNNB1 (0.40) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL25569901 0.78 CTNNB1 (0.40) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL25569832 0.78 CTNNB1 (0.40) CYP2A6PTPRCPTPN6PTPN11PTPN22

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 CYP2A6 1879/4885OPRM1 1733/4885OPRK1 1113/4885

“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.