SCHEMBL25569649

SCHEMBL25569649

CNC(C)C(=O)c1ccc2c(c1)CCS2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.45
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHRNA1 P02708 3/20 0.35
CHRNG P07510 3/20 0.35
CHRNB1 P11230 3/20 0.35
CHRNB2 P17787 3/20 0.35
SLC6A2 P23975 3/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA4 P43681 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CHRND Q07001 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24197476 0.89 HTR1B (0.45) HTR1BHDAC1HDAC8HDAC6CHRNA1
SCHEMBL25569647 0.85 MAPT (0.35) HTR1BHDAC1HDAC8HDAC6CHRNA1
SCHEMBL7098217 0.82 ALDH1A1 (0.40) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL25569656 0.82 HDAC1 (0.34) HTR1BHDAC1HDAC8HDAC6KDM4E
SCHEMBL1865789 0.77 MAPT (0.50) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL25569789 0.76 MAPT (0.35) HDAC1HDAC8HDAC6SLC6A2SLC6A3
SCHEMBL3142775 0.76 ALDH1A1 (0.57) KDM4EALDH1A1ALOX15CASP1CASP7
SCHEMBL25569655 0.76 HDAC1 (0.34) HDAC1HDAC8HDAC6SLC6A2SLC6A3
SCHEMBL7759522 0.75 ALDH1A1 (0.52) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL10692438 0.74 ALDH1A1 (0.39) HDAC1HDAC8HDAC6KDM4EALDH1A1

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 HTR1B 511/4885HDAC1 1235/4885HDAC8 1976/4885

“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.