SCHEMBL4240440

SCHEMBL4240440

CN1CCN(Cc2cccc3cc(S(=O)(=O)c4ccccc4)cnc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.54
HTR2A P28223 4/20 0.54
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR7 P34969 1/20 0.53
HTR2B P41595 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MCHR1 Q99705 2/20 0.43
HTR2C P28335 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CA2 P00918 1/20 0.42

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 0.91 HTR2A (0.57) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4237169 0.90 HTR2A (0.56) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4233102 0.90 HTR2A (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL13948477 0.88 HTR6 (0.52) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL13948463 0.87 HTR2A (0.49) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4233342 0.87 HTR6 (0.51) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4228992 0.87 HTR2A (0.53) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4374094 0.87 HTR2A (0.53) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4236535 0.86 HTR2A (0.48) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4233347 0.86 HTR6 (0.50) HTR6HTR2AHTR1ADRD2HTR7

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 HTR6 3/4885HTR2A 10/4885HTR1A 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.