SCHEMBL5636693

SCHEMBL5636693

O=S(=O)(Nc1cccc2c(CCN3CCCC3)cn(Br)c12)c1c(Cl)nc2sccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.53
CCKBR P32239 1/20 0.48
HTR2C P28335 2/20 0.44
HTR7 P34969 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2B P41595 1/20 0.44
ACLY P53396 1/20 0.44
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
S1PR1 P21453 1/20 0.41
C5AR1 P21730 1/20 0.41
SLC6A2 P23975 1/20 0.41
FPR3 P25089 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
GPR183 P32249 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL3261001 0.80 HTR6 (0.67) HTR6CCKBRHTR2CACLYADRA2A
SCHEMBL5739725 0.75 HTR6 (0.75) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL1576160 0.75 CCKBR (0.53) HTR6CCKBRHTR2CACLYADRA2A
SCHEMBL5738773 0.75 HTR6 (0.74) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL1422692 0.71 ACLY (0.51) HTR6CCKBRHTR2CHTR7CYP3A4
SCHEMBL1421966 0.70 ACLY (0.56) HTR6CCKBRHTR2CACLY
SCHEMBL14290796 0.70 ACLY (0.56) HTR6CCKBRHTR2CACLYADRA2A
SCHEMBL5739911 0.70 HTR6 (0.74) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL2899890 0.69 HTR6 (1.00) HTR6HTR2CADRA2A
SCHEMBL1576520 0.69 HTR6 (0.54) HTR6CCKBRHTR2CADRA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213326-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 RECEPTOR MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-13 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-20070213326-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 RECEPTOR MODULATORS HTR6, TPH1, TPH2 HTR6 1/4885CCKBR 212/4885HTR2C 8/4885

“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.