SCHEMBL5097443

SCHEMBL5097443

O=S(=O)(c1cnc2ccccc2c1)n1ncc2ccc(N3CCNCC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
HTR6 P50406 13/20 0.47
HTR3A P46098 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR5A P47898 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR7 P34969 5/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
MTOR P42345 1/20 0.42
MET P08581 2/20 0.41
PKM P14618 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
SCHEMBL1537811 0.86 HTR6 (0.61) HTR6HTR3AHTR3EHTR3BHTR5A
SCHEMBL5094878 0.84 HTR6 (0.55) CHRNB2CHRNA4HTR6HTR3AHTR3E
SCHEMBL1537928 0.80 HTR6 (0.47) HTR6HTR7HTR1A
SCHEMBL1537858 0.80 HTR6 (0.51) CHRNB2CHRNA4HTR6HTR3AHTR3E
SCHEMBL5097162 0.79 HTR6 (0.61) HTR6HTR7HTR1ADRD2
SCHEMBL5103766 0.79 HTR6 (0.54) HTR6HTR3AHTR5ASIGMAR1HTR7
SCHEMBL5095035 0.79 HTR6 (0.53) HTR6HTR3AHTR3EHTR3BHTR3D
SCHEMBL1537841 0.79 HTR6 (0.52) CHRNB2CHRNA4HTR6HTR3AHTR3E
SCHEMBL5103893 0.78 HTR6 (0.53) HTR6HTR3AHTR3EHTR3BHTR5A
SCHEMBL5091055 0.78 HTR6 (0.52) HTR6HTR3AHTR3EHTR3BHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US claimed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
WO-2008101247-A2 6 ' SUBSTITUTED INDOLE AND INDAZOLE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 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-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR1A CHRNB2 277/4885CHRNA4 186/4885HTR6 1/4885

“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.