SCHEMBL25569794

SCHEMBL25569794

CCC(=O)Cc1ccc2ccsc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.39
CYP2A6 P11509 1/20 0.38
ITK Q08881 1/20 0.36
CHRNA7 P36544 4/20 0.36
HTR3A P46098 3/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
IAPP P10997 1/20 0.35
PTGS1 P23219 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CTNNB1 P35222 1/20 0.34

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
SCHEMBL25569772 0.87 CYP2A6 (0.53) OPRM1OPRK1MRGPRX4CYP2A6CTNNB1
SCHEMBL30211365 0.83 OPRM1 (0.48) OPRM1OPRK1MRGPRX4CYP2A6CHRNA7
SCHEMBL25569762 0.83 OPRM1 (0.48) OPRM1OPRK1MRGPRX4CYP2A6CHRNA7
SCHEMBL6544511 0.81 PTGS1 (0.47) OPRM1OPRK1MRGPRX4CYP2A6PTGS1
SCHEMBL154793 0.77 CYP2A6 (0.47) OPRM1OPRK1MRGPRX4CYP2A6AKR1C3
SCHEMBL6335648 0.77 CTNNB1 (0.49) MRGPRX4CHRNA7HTR3AHTR3EHTR3B
SCHEMBL25569764 0.75 OPRM1 (0.53) OPRM1OPRK1MRGPRX4MAPK8MAPK10
SCHEMBL3799097 0.74 CYP2A6 (0.43) OPRM1OPRK1MRGPRX4CYP2A6
SCHEMBL3150204 0.73 CYP2A6 (0.46) OPRM1OPRK1MRGPRX4CYP2A6CHRNA7
SCHEMBL31621489 0.73 MRGPRX4 (0.47) MRGPRX4ALDH1A1MAPTLMNASMN1; SMN2

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 1113/4885MRGPRX4 980/4885

“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.