SCHEMBL3605852

SCHEMBL3605852

CN1CCN(C)C(COc2cccc(C#N)c2)C1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.49
CHRNA3 P32297 6/20 0.49
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNB1 P11230 1/20 0.46
CHRNB3 Q05901 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
TBXAS1 P24557 1/20 0.43
DRD4 P21917 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
SCHEMBL3614551 0.84 CHRNB4 (0.69) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL9244259 0.84 CHRNB4 (0.69) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL9242766 0.83 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL9242770 0.83 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL3601894 0.82 DRD2 (0.50) CHRNB4CHRNA3DRD2DRD3TBXAS1
SCHEMBL3605627 0.80 MET (0.52) DRD2DRD3
SCHEMBL3605269 0.80 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL17166480 0.78 DRD4 (0.60) DRD4
SCHEMBL11466424 0.77 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL11466251 0.75 HCRTR1 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP CHRNB4 217/4885CHRNA3 161/4885CHRNB2 182/4885

“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.