SCHEMBL5201593

SCHEMBL5201593

O=S(=O)(c1cccc(F)c1)N1CCc2c(cccc2N2CCNCC2)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.64
DRD3 P35462 2/20 0.64
MEN1 O00255 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
AKR1C3 P42330 6/20 0.47
AKR1C1 Q04828 1/20 0.47
AKR1C2 P52895 1/20 0.46

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
SCHEMBL5200670 0.89 HTR6 (0.66) HTR6DRD3MEN1KMT2A
SCHEMBL5204332 0.88 HTR6 (0.82) HTR6DRD3MEN1KMT2AAKR1C3
SCHEMBL5202880 0.87 HTR6 (0.67) HTR6DRD3MEN1KMT2AAKR1C3
SCHEMBL5201623 0.87 HTR6 (0.64) HTR6DRD3MEN1KMT2AAKR1C3
SCHEMBL5201079 0.85 HTR6 (0.66) HTR6DRD3MEN1KMT2AAKR1C3
SCHEMBL5204254 0.84 HTR6 (0.62) HTR6DRD3MEN1KMT2A
SCHEMBL5201591 0.83 HTR6 (0.69) HTR6DRD3AKR1C3AKR1C2
SCHEMBL5200830 0.83 HTR6 (0.71) HTR6DRD3MEN1KMT2AAKR1C3
SCHEMBL5203567 0.83 AKR1C3 (0.65) HTR6DRD3AKR1C3AKR1C1AKR1C2
SCHEMBL5200667 0.83 HTR6 (0.59) HTR6DRD3AKR1C3AKR1C1AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601358-B1 2,5-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-12-19 EP claimed
US-7196088-B2 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US claimed
EP-1601358-A1 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-07 EP claimed
US-20040180874-A1 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC 2004-09-16 US claimed
WO-2004078176-A1 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-16 WO claimed
EP-1601358-B1 2,5-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
EP-1601358-B1 2,5-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
US-7196088-B2 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196088-B2 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196088-B2 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
EP-1601358-A1 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-07 EP disclosed
US-20040180874-A1 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC 2004-09-16 US disclosed
WO-2004078176-A1 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-16 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-20040180874-A1 Substituted tetrahydroisoquinolines and uses thereof CYP3A5, CYP4X1, UGT1A1 HTR6 1252/4885DRD3 291/4885MEN1 335/4885

“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.