SCHEMBL25569772

SCHEMBL25569772

CCC(=O)Cc1ccc2sccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.53
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
CTNNB1 P35222 3/20 0.43
WNT3A P56704 3/20 0.43
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL25569794 0.87 OPRM1 (0.46) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL3815862 0.83 CYP2A6 (0.56) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL631209 0.81 CYP2A6 (0.58) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL1774025 0.77 CYP2A6 (0.66) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL2494708 0.76 CYP2A6 (0.56) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL25569768 0.75 OPRM1 (0.53) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL11098549 0.74 CYP2A6 (0.53) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL3789042 0.74 CYP2A6 (0.61) CYP2A6OPRM1OPRK1CTNNB1WNT3A
SCHEMBL6329466 0.73 CTNNB1 (0.65) CYP2A6CTNNB1WNT3ACA12CA2
SCHEMBL202744 0.73 CYP2A6 (0.66) CYP2A6OPRM1OPRK1CTNNB1WNT3A

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.