SCHEMBL4237169

SCHEMBL4237169

O=S(=O)(c1ccccc1)c1cnc2c(CN3CCCCC3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.56
HTR6 P50406 5/20 0.56
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR7 P34969 1/20 0.56
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
GRIN2B Q13224 1/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL13948448 0.99 HTR2A (0.57) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4233102 0.98 HTR2A (0.56) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4228992 0.90 HTR2A (0.53) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4374094 0.90 HTR2A (0.53) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4240440 0.90 HTR6 (0.54) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL13948477 0.89 HTR6 (0.52) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL13948452 0.88 HTR2A (0.54) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL13948461 0.88 MCHR1 (0.48) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4233342 0.88 HTR6 (0.51) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4238430 0.87 MCHR1 (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.