SCHEMBL6357480

SCHEMBL6357480

Fc1cccc(C2CC3CCC2N3)c1-n1cnnn1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL6359729 0.74 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7060297 0.74 CHRNA7 (0.43) CHRNB2CHRNA4
SCHEMBL6360574 0.73 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7161292 0.69 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28544293 0.65 MAPT (0.44)
SCHEMBL6357471 0.63 CHRNB4 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7661467 0.61 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6358950 0.60 CHRNB4 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6663087 0.60 CHRNB4 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6357474 0.59 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed

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-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB2 19/4885CHRNA4 4/4885CHRNB4 20/4885

“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.