SCHEMBL4228992

SCHEMBL4228992

O=S(=O)(c1ccccc1)c1cnc2c(CN3CCC(F)(F)CC3)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR6 P50406 4/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR7 P34969 1/20 0.53
HDAC8 Q9BY41 1/20 0.43
HTR2B P41595 1/20 0.39
FFAR2 O15552 4/20 0.39
CYP2D6 P10635 3/20 0.38
MCHR1 Q99705 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR2C P28335 3/20 0.36

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
SCHEMBL13948479 0.95 HTR2A (0.50) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4231194 0.94 HTR2A (0.49) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL13948482 0.91 HTR2A (0.50) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL13948448 0.91 HTR2A (0.57) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4233128 0.90 HTR2A (0.49) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL13948466 0.90 HTR2A (0.48) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4237169 0.90 HTR2A (0.56) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4233102 0.90 HTR2A (0.56) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4240077 0.89 HTR2A (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL5087468 0.88 HTR2A (0.48) HTR2AHTR6HTR1ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012056-A1 Quinoline Compounds Capable of Binding the Cb2 and/or the 5-Ht6 Receptor GLAXO GROUP LIMITED (GB) 2009-01-08 US claimed
US-20090012056-A1 Quinoline Compounds Capable of Binding the Cb2 and/or the 5-Ht6 Receptor GLAXO GROUP LIMITED (GB) 2009-01-08 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-20090012056-A1 Quinoline Compounds Capable of Binding the Cb2 and/or the 5-Ht6 Receptor CNR2, CNR1, HTR6 HTR2A 10/4885HTR6 3/4885HTR1A 8/4885

“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.