SCHEMBL6817302

SCHEMBL6817302

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.34
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA7 P36544 1/20 0.31

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
SCHEMBL6817295 1.00 KHK (0.34) KHKCHRNB2CHRNA4CHRNA7
SCHEMBL6817271 1.00 KHK (0.34) KHKCHRNB2CHRNA4CHRNA7
SCHEMBL6812558 1.00 KHK (0.34) KHKCHRNB2CHRNA4CHRNA7
SCHEMBL6821429 1.00 KHK (0.34) KHKCHRNB2CHRNA4CHRNA7
SCHEMBL6813249 0.95 MEN1 (0.33) KHKCHRNB2CHRNA4CHRNA7
SCHEMBL6820969 0.95 MEN1 (0.33) KHKCHRNB2CHRNA4CHRNA7
SCHEMBL6813254 0.95 MEN1 (0.33) KHKCHRNB2CHRNA4CHRNA7
SCHEMBL6821406 0.92
SCHEMBL6821403 0.92
SCHEMBL6816920 0.84

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 KHK 1353/4885CHRNB2 710/4885CHRNA4 346/4885

“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.