SCHEMBL1781632

SCHEMBL1781632

O=C(Oc1ccc(Br)cc1)N1CCN2CCC1C2

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.84
HTR3A P46098 1/20 0.62
CHRNA3 P32297 4/20 0.60

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
Fumaric Acid SCHEMBL768339 0.94 CHRNA7 (0.74) CHRNA7HTR3ACHRNA3
Ssr180711 SCHEMBL1427769 0.92 CHRNA7 (1.00) CHRNA7HTR3ACHRNA3
Ssr180711 SCHEMBL2910246 0.90 CHRNA7 (0.97) CHRNA7HTR3ACHRNA3
SCHEMBL5914673 0.88 CHRNA7 (0.92) CHRNA7HTR3ACHRNA3
Ssr180711 SCHEMBL1944638 0.87 CHRNA7 (0.85) CHRNA7HTR3ACHRNA3
SCHEMBL1781237 0.86 CHRNA7 (0.63) CHRNA7HTR3ACHRNA3
SCHEMBL1781704 0.84 CHRNA7 (0.75) CHRNA7HTR3ACHRNA3
SCHEMBL5914728 0.80 CHRNA7 (0.78) CHRNA7HTR3ACHRNA3
Fumaric Acid SCHEMBL1782407 0.80 CHRNA7 (0.68) CHRNA7HTR3ACHRNA3
SCHEMBL7550014 0.78 CHRNA7 (0.76) CHRNA7HTR3ACHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-19 US claimed
US-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-19 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-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA6, CHRNA2, CHRNA10 CHRNA7 6/4885HTR3A 69/4885CHRNA3 4/4885

“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.