SCHEMBL4985663

SCHEMBL4985663

c1csc(-c2cn([C@H]3CN4CCC3CC4)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.40
HTR3A P46098 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
GAA P10253 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA4 P43681 3/20 0.39

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
SCHEMBL4985660 1.00 CHRNA7 (0.40) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4986626 0.80 DRD2 (0.50) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4986638 0.80 DRD2 (0.50) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4985407 0.80 HTR3A (0.48) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL4985415 0.80 HTR3A (0.48) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL4989050 0.79 HTR3A (0.42) HTR3A
SCHEMBL4989041 0.79 HTR3A (0.42) HTR3A
SCHEMBL15441398 0.78 CHRNB2 (0.58) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL15441397 0.78 CHRNB2 (0.58) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL4991806 0.73 HTR3E (0.39) CHRNA7HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384954-B2 4-substituted imidazoles ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7384954-B2 4-substituted imidazoles ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7384954-B2 4-substituted imidazoles ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-20070105896-A1 4-Substituted imidazoles ASTRAZENECA AB (SE) 2007-05-10 US disclosed
US-20070105896-A1 4-Substituted imidazoles ASTRAZENECA AB (SE) 2007-05-10 US disclosed
US-20070105896-A1 4-Substituted imidazoles ASTRAZENECA AB (SE) 2007-05-10 US disclosed
EP-1687303-A1 4-SUBSTITUTED IMIDAZOLES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049612-A1 4-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-20070105896-A1 4-Substituted imidazoles GRIN2C, GRIN2D, GRIN2A CHRNA7 108/4885HTR3A 712/4885HTR3E 612/4885

“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.