SCHEMBL25569716

SCHEMBL25569716

CCNC(CC)C(Cl)c1ccc2sccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CA2 P00918 4/20 0.34
CA12 O43570 3/20 0.34
TRPV3 Q8NET8 1/20 0.33
ADRB3 P13945 1/20 0.33
DYRK1A Q13627 1/20 0.31
HTR2C P28335 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25569727 0.89
SCHEMBL25569714 0.87 CYP2A6 (0.37) CYP2A6CA2CA12TRPV3ADRB3
SCHEMBL25569718 0.84 CYP2A6 (0.37) CYP2A6CA2CA12TRPV3ADRB3
SCHEMBL25667880 0.83 ADRB2 (0.40) CYP2A6CA2CA12TRPV3ADRB3
SCHEMBL25569709 0.83 CYP2A6 (0.36) CYP2A6CA2CA12TRPV3ADRB3
SCHEMBL25667886 0.78 TRPV3 (0.36) CYP2A6CA2CA12TRPV3ADRB3
SCHEMBL25667882 0.77 TRPV3 (0.44) CYP2A6CA2CA12TRPV3ADRB3
SCHEMBL25569726 0.76 CYP3A4 (0.31)
SCHEMBL25669799 0.76 CYP2A6 (0.41) CYP2A6CA2CA12TRPV3DYRK1A
SCHEMBL25570132 0.75 CYP2A6 (0.39) CYP2A6CA2CA12TRPV3ADRB3

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.