SCHEMBL3884306

SCHEMBL3884306

FCCCc1cncc(OCC2CCCN2)c1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.84
CHRNA6 Q15825 2/20 0.84
CHRNB4 P30926 2/20 0.62
CHRNA3 P32297 2/20 0.62
CHRNA4 P43681 7/20 0.56
AKT1 P31749 1/20 0.54
CHRNA1 P02708 1/20 0.53
CHRNG P07510 1/20 0.53
CHRNB1 P11230 1/20 0.53
CHRND Q07001 1/20 0.53

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
SCHEMBL3877873 1.00 CHRNB2 (0.84) CHRNB2CHRNA6CHRNB4CHRNA3CHRNA4
SCHEMBL13354153 0.96 CHRNB2 (0.78) CHRNB2CHRNA6CHRNB4CHRNA3CHRNA4
SCHEMBL13566551 0.91 CHRNB2 (1.00) CHRNB2CHRNA6CHRNA4
SCHEMBL13354150 0.88 CHRNB2 (0.93) CHRNB2CHRNA6CHRNA4
SCHEMBL14311699 0.87 CHRNB4 (0.64) CHRNB2CHRNA6CHRNB4CHRNA3CHRNA4
SCHEMBL15483390 0.85 CHRNB4 (0.64) CHRNB2CHRNA6CHRNB4CHRNA3CHRNA4
SCHEMBL6585642 0.83 AKT1 (0.66) CHRNB2CHRNA6CHRNB4CHRNA3CHRNA4
SCHEMBL7409844 0.82 CHRNB4 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4AKT1
SCHEMBL14030031 0.82 CHRNB4 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4AKT1
Hydrochloric Acid SCHEMBL6585067 0.82 AKT1 (0.65) CHRNB2CHRNA6CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029557-B2 Labeled A4B2 ligands and methods therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-12 US disclosed
US-20140050663-A1 Labeled A4B2 Ligands and Methods Therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-20 US disclosed
US-8378109-B2 Labeled ALPHA4BETA2 ligands and methods therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-19 US disclosed
US-20090297443-A1 Labeled ALPHA4BETA2 Ligands and Methods Therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-03 US disclosed
WO-2006086068-A1 LABELED ALPHA-4-BETA-2 LIGANDS AND METHODS THEREFOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-08-17 WO 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 (2 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-20140050663-A1 Labeled A4B2 Ligands and Methods Therefor CHRNB1, CHRNB4, CHRNB2 CHRNB2 3/4885CHRNA6 22/4885CHRNB4 2/4885
US-20090297443-A1 Labeled ALPHA4BETA2 Ligands and Methods Therefor CHRNE, CHRNB1, CHRNB4 CHRNB2 4/4885CHRNA6 16/4885CHRNB4 3/4885

“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.