SCHEMBL5628913

SCHEMBL5628913

Nc1ccc(-c2ccccc2)cc1C(=O)N[C@H]1CN2CCC1CC2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.59
CHRNA7 P36544 6/20 0.57
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3A P46098 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56

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
SCHEMBL5628917 1.00 CHEK1 (0.59) CHEK1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5630472 0.87 CHRNA7 (0.58) CHEK1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5630467 0.87 CHRNA7 (0.58) CHEK1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5628907 0.86 CHRNA7 (0.57) CHEK1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5652052 0.86 CHRNA7 (0.57) CHEK1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5652057 0.86 CHRNA7 (0.57) CHEK1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5628903 0.86 CHRNA7 (0.57) CHEK1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL1567250 0.84 HTR3A (0.61) HTR3A
SCHEMBL5627977 0.83 CHRNA7 (0.54) CHEK1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5627973 0.83 CHRNA7 (0.54) CHEK1CHRNA7HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191422-A1 Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2007-08-16 US claimed
EP-1699787-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2006-09-13 EP claimed
WO-2005061495-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 WO claimed
US-20070191422-A1 Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2007-08-16 US disclosed
EP-1699787-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061495-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 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-20070191422-A1 Nicotinic acetylcholine receptor ligands CHRNA2, CHRNA1, CHRNA6 CHEK1 4152/4885CHRNA7 4/4885HTR3E 322/4885

“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.