SCHEMBL5652052

SCHEMBL5652052

O=C(N[C@H]1CN2CCC1CC2)c1cc(-c2ccccc2)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 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
CHEK1 O14757 2/20 0.56
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53

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
SCHEMBL5652057 1.00 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5630472 0.87 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5630467 0.87 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5628903 0.86 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5628913 0.86 CHEK1 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5628917 0.86 CHEK1 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5628907 0.86 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL9597743 0.84 CHRNA7 (0.60) CHRNA7
SCHEMBL5627977 0.83 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5627973 0.83 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270458-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270458-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270458-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-11-22 US 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-20070270458-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA2, CHRNA1, CHRNA6 CHRNA7 4/4885HTR3E 328/4885HTR3B 305/4885

“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.