SCHEMBL5200624

SCHEMBL5200624

O=S(=O)(c1ccccc1F)N1CCc2c(cccc2N2CCNCC2)C1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.72
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
DRD3 P35462 1/20 0.58
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.44
HTR2C P28335 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
SCHEMBL5201386 0.87 HTR6 (0.72) HTR6KMT2AL3MBTL1DRD3LMNA
SCHEMBL5201056 0.87 HTR6 (0.86) HTR6KMT2ADRD3LMNA
SCHEMBL5203118 0.86 HTR6 (0.70) HTR6KMT2ADRD3ALDH1A1LMNA
SCHEMBL5204332 0.84 HTR6 (0.82) HTR6KMT2ADRD3
SCHEMBL3322955 0.83 HTR6 (1.00) HTR6KMT2ADRD3SMN1; SMN2LMNA
SCHEMBL5200670 0.83 HTR6 (0.66) HTR6KMT2ADRD3ALDH1A1LMNA
SCHEMBL5200830 0.82 HTR6 (0.71) HTR6KMT2AL3MBTL1DRD3
SCHEMBL28401291 0.81 HTR6 (0.70) HTR6DRD3
SCHEMBL5206059 0.81 HTR6 (0.64) HTR6KMT2AL3MBTL1DRD3SMN1; SMN2
SCHEMBL5201593 0.81 HTR6 (0.64) HTR6KMT2ADRD3

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 12 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
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 1252/4885KMT2A 1589/4885L3MBTL1 4459/4885

“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.