SCHEMBL25569768

SCHEMBL25569768

CON(C)C(=O)Cc1ccc2sccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
OPRK1 P41145 2/20 0.53
CYP2A6 P11509 1/20 0.46
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
PDE10A Q9Y233 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL25569764 0.89 OPRM1 (0.53) OPRM1OPRK1HDAC4HDAC6MRGPRX4
SCHEMBL3815862 0.77 CYP2A6 (0.56) OPRM1OPRK1CYP2A6MRGPRX4CTNNB1
SCHEMBL18792028 0.77 MC4R (0.50) CYP2A6MAPK8MAPK10PTGS1AKR1C3
SCHEMBL631209 0.76 CYP2A6 (0.58) OPRM1OPRK1CYP2A6MRGPRX4CTNNB1
SCHEMBL14741290 0.75 CTNNB1 (0.48) CYP2A6MRGPRX4CTNNB1WNT3ACA12
SCHEMBL1515836 0.75 TSHR (0.51) OPRM1OPRK1
SCHEMBL25569772 0.75 CYP2A6 (0.53) OPRM1OPRK1CYP2A6MRGPRX4CTNNB1
SCHEMBL20955359 0.73 RAB9A (0.44) HDAC4HDAC6PDE10A
SCHEMBL24111692 0.72 HDAC4 (0.44) CYP2A6HDAC4HDAC6MRGPRX4CTNNB1
SCHEMBL1515850 0.72 HDAC4 (0.45) HDAC4HDAC6MAPK8PTGS1AKR1C3

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 1113/4885CYP2A6 1879/4885

“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.