SCHEMBL5240551

SCHEMBL5240551

O=S(=O)(c1ccccc1F)c1c[nH]c2c(OCCN3CCCC3)cccc12

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.72
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.41
LTA4H P09960 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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 SCHEMBL5244077 0.99 HTR6 (0.71) HTR6CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL5243539 0.88 HTR6 (0.67) HTR6CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL5241746 0.88 HTR6 (0.67) HTR6CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL3321950 0.87 HTR6 (0.81) HTR6CYP1A2CYP2D6CYP2C19DRD2
SCHEMBL6243228 0.87 HTR6 (0.66) HTR6CYP1A2CYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL5241623 0.87 HTR6 (0.66) HTR6CYP1A2CYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL5242794 0.87 HTR6 (0.66) HTR6CYP1A2CYP2D6CYP2C19MEN1
Hydrochloric Acid SCHEMBL5242993 0.86 HTR6 (0.80) HTR6CYP1A2CYP2D6CYP2C19DRD2
SCHEMBL5241269 0.85 HTR6 (0.66) HTR6CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL5242172 0.84 HTR6 (1.00) HTR6DRD2KCNH2

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 8 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
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 claimed
US-20040132799-A1 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2004-07-08 US claimed
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 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
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

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 HTR6 52/4885CYP1A2 10/4885CYP2D6 6/4885

“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.