SCHEMBL5243243

SCHEMBL5243243

O=S(=O)(c1ccccc1)n1ccc2cccc(OCCN3CCCC3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
DRD2 P14416 5/20 0.46
DRD3 P35462 4/20 0.46
DRD1 P21728 3/20 0.46
HRH1 P35367 4/20 0.45
DRD4 P21917 3/20 0.45
DRD5 P21918 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 6/20 0.44
LTA4H P09960 1/20 0.44
HTR2A P28223 3/20 0.44
HTR7 P34969 3/20 0.44
HTR1A P08908 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 4/20 0.44
CYP1A2 P05177 1/20 0.43

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
Hydrochloric Acid SCHEMBL5243005 0.99 TDP1 (0.45) TDP1DRD2DRD3DRD1HRH1
SCHEMBL5242307 0.82 HTR6 (0.65) DRD2DRD3HRH1DRD4HTR6
SCHEMBL5243644 0.81 HTR6 (0.47) DRD3TSHRHTR6HTR7HTR1A
SCHEMBL5758025 0.81 HTR6 (0.64) DRD2DRD3HRH1DRD4HTR6
Hydrochloric Acid SCHEMBL4082476 0.80 HTR6 (0.63) DRD2DRD3HRH1DRD4HTR6
SCHEMBL5242040 0.79 HTR6 (0.68) HTR6
SCHEMBL5243831 0.79 HTR6 (0.56) DRD2DRD3TSHRHTR6HTR7
Hydrochloric Acid SCHEMBL5652927 0.78 HTR6 (0.55) DRD2DRD3TSHRHTR6HTR7
Hydrochloric Acid SCHEMBL5243171 0.78 HTR6 (0.67) HTR6
SCHEMBL931908 0.75 HTR6 (0.62) TSHRHTR6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP claimed
US-7084169-B2 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2006-08-01 US claimed
US-20040132799-A1 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2004-07-08 US claimed
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP disclosed
US-7084169-B2 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2006-08-01 US disclosed
EP-1569638-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050085-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO 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-20040132799-A1 Aminoalkoxyindoles and methods of use HTR3C, HTR2C, CYP3A5 TDP1 1284/4885DRD2 62/4885DRD3 56/4885

“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.