SCHEMBL3563290

SCHEMBL3563290

O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2cccc(N3CCNCC3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.56
HTR2A P28223 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR7 P34969 1/20 0.51
AKR1B1 P15121 1/20 0.48
HTR2C P28335 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1D P28221 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
SLC6A4 P31645 1/20 0.45
IDH2 P48735 1/20 0.43
HSP90AA1 P07900 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 SCHEMBL2195294 0.99 HTR6 (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3556344 0.86 HTR6 (0.60) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2197448 0.85 HTR6 (0.59) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL27544502 0.84 HTR6 (0.65) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3560924 0.84 HTR6 (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3563289 0.83 HTR6 (0.75) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL27563048 0.83 HTR6 (0.64) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2198310 0.83 HTR6 (0.55) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2195292 0.82 HTR6 (0.74) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2194334 0.77 AKR1B1 (0.53) HTR6AKR1B1ALDH1A1MAPTHSP90AA1

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-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP claimed
US-7799774-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2010-09-21 US claimed
US-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2009-12-03 US claimed
EP-1956004-A1 Quinoline derivatives and their use as 5-HT6 ligands Glaxo Group Limited (GB) 2008-08-13 EP claimed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US claimed
EP-1497266-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 EP claimed
WO-2003080580-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR3B, HTR4 HTR6 1/4885HTR2A 9/4885HTR1A 4/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885HTR2A 124/4885HTR1A 132/4885

“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.