SCHEMBL1775433

SCHEMBL1775433

COc1cc(OC)c(OC)cc1NS(=O)(=O)c1c(Br)sc2ccnc(N3CCN(C)CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.40
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
DRD3 P35462 3/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR1E P28566 2/20 0.38
HTR1F P30939 2/20 0.38
HTR7 P34969 2/20 0.38
ADRA1B P35368 2/20 0.38
HTR2B P41595 2/20 0.38
HTR4 Q13639 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TTK P33981 1/20 0.38
UTS2R Q9UKP6 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
SCHEMBL1775869 0.81 LMNA (0.39) HTR6HTR2AHTR2CDRD3HTR1A
SCHEMBL1775987 0.80 HTT (0.39) HTR6HTR2AHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL1776644 0.80 LMNA (0.39) HTR6HTR2AHTR2CDRD3HTR1A
Hydrochloric Acid SCHEMBL1774418 0.79 HTT (0.39) HTR6HTR2AHTR1AHTR1DHTR1B
SCHEMBL1775387 0.78 HRH4 (0.39) DRD2HTR2ADRD3
SCHEMBL1777009 0.74 MALT1 (0.48) HTR6DRD2HTR2AHTR2CDRD3
Hydrochloric Acid SCHEMBL1775834 0.73 MALT1 (0.47) HTR6DRD2HTR2AHTR2CDRD3
SCHEMBL1776120 0.73 KIT (0.39) HTR6DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1775562 0.72 KIT (0.38) HTR6DRD2HTR2ADRD3
SCHEMBL1774845 0.72 HRH4 (0.37) HTR6HTR2AHTR2CDRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US claimed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US claimed
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 HTR6 2109/4885DRD2 1250/4885HTR2A 1162/4885

“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.