SCHEMBL7568006

SCHEMBL7568006

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 1/20 0.35
AKT1 P31749 1/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA5 P30532 1/20 0.35
SLC6A2 P23975 1/20 0.34

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
SCHEMBL6817096 1.00 CHRNB2 (0.35) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL7568010 1.00 CHRNB2 (0.35) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL6817258 1.00 CHRNB2 (0.35) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL6816788 1.00 CHRNB2 (0.35) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL6816423 0.96 POLB (0.38) CHRNB2CHRNA4AKT1
SCHEMBL6813180 0.96 POLB (0.38) CHRNB2CHRNA4AKT1
SCHEMBL6813172 0.96 POLB (0.38) CHRNB2CHRNA4AKT1
SCHEMBL6820990 0.81
SCHEMBL6816800 0.81
SCHEMBL6816792 0.81

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-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 346/4885AKT1 4051/4885

“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.