SCHEMBL4991806

SCHEMBL4991806

c1csc(-c2cncn2[C@H]2CN3CCC2CC3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
GAA P10253 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL4991818 1.00 HTR3E (0.39) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL5002581 0.79 HTR3A (0.36) HTR3AIDO1TDO2
SCHEMBL5002582 0.79 HTR3A (0.36) HTR3AIDO1TDO2
SCHEMBL4996837 0.73 HTR3A (0.39) HTR3A
SCHEMBL4996842 0.73 HTR3A (0.39) HTR3A
SCHEMBL4985663 0.73 CHRNA7 (0.40) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL4985660 0.73 CHRNA7 (0.40) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL15441397 0.69 CHRNB2 (0.58) CHRNA7HTR3A
SCHEMBL15441398 0.69 CHRNB2 (0.58) CHRNA7HTR3A
SCHEMBL13734805 0.66 CHRNB2 (0.67) CHRNA7

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-20080188518-A1 5-Substituted Imidazoles ASTRA ZENECA AB (SE) 2008-08-07 US disclosed
US-20080188518-A1 5-Substituted Imidazoles ASTRA ZENECA AB (SE) 2008-08-07 US disclosed
US-20080188518-A1 5-Substituted Imidazoles ASTRA ZENECA AB (SE) 2008-08-07 US disclosed
EP-1687302-A1 5-SUBSTITUTED IMIDAZOLES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049611-A1 5-SUBSTITUTED IMIDAZOLES ASTRAZENECA AB (SE) 2005-06-02 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-20080188518-A1 5-Substituted Imidazoles GABRA5, GRIN2C, GABRE HTR3E 534/4885HTR3B 778/4885CHRNA7 71/4885

“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.