SCHEMBL6820945

SCHEMBL6820945

C(#C[C@@H]1CCCN1)c1ccno1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA7 P36544 1/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL6817117 1.00 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA7CCNE2CCNE1
SCHEMBL6817274 0.95 MEN1 (0.33) CHRNB2CHRNA4CHRNA7
SCHEMBL6816924 0.84
SCHEMBL6816920 0.84
SCHEMBL6817448 0.79
SCHEMBL6816274 0.75 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL6817612 0.75 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL6816870 0.71 POLB (0.38) CHRNB2CHRNA4
SCHEMBL22260358 0.68 APP (0.39)
SCHEMBL28540000 0.68 APP (0.39)

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
WO-2004009599-A1 FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-01-29 WO disclosed
US-20020160998-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-10-31 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-20020160998-A1 Pharmaceutical compositions and methods for use AADAC, CYP3A7, CYP3A5 CHRNB2 710/4885CHRNA4 346/4885CHRNA7 111/4885

“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.