SCHEMBL25569707

SCHEMBL25569707

CCC(NC)C(F)c1ccc2sccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
TRPV3 Q8NET8 1/20 0.34
PTPRC P08575 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTR2C P28335 1/20 0.32
ADRB3 P13945 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 2/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL25569722 0.89 CYP3A4 (0.31) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL25569709 0.87 CYP2A6 (0.36) CYP2A6CA2CA12TRPV3PTPRC
SCHEMBL25572648 0.83 ADRB2 (0.40) CYP2A6CA2CA12TRPV3HTR2C
SCHEMBL25569714 0.83 CYP2A6 (0.37) CYP2A6CA2CA12TRPV3DYRK1A
SCHEMBL30430218 0.81 CYP2A6 (0.37) CYP2A6CA2CA12TRPV3PTPRC
SCHEMBL25569706 0.81 CYP2A6 (0.37) CYP2A6CA2CA12TRPV3PTPRC
SCHEMBL25569708 0.77 CYP2A6 (0.37) CYP2A6CA2CA12TRPV3PTPRC
SCHEMBL25669798 0.77 CYP2A6 (0.41) CYP2A6CA2CA12TRPV3PTPRC
SCHEMBL25569724 0.76
SCHEMBL25667613 0.75 CYP2A6 (0.38) CYP2A6CA2CA12TRPV3DYRK1A

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 1879/4885CA2 1447/4885CA12 1923/4885

“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.