SCHEMBL14949830

SCHEMBL14949830

O=C(O)NCc1cccc(-c2cncc(OC[C@@H]3CCN3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.65
CHRNA4 P43681 9/20 0.65

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
Hydrochloric Acid SCHEMBL14949861 0.99 CHRNB2 (0.64) CHRNB2CHRNA4
SCHEMBL3361284 0.91 CHRNB2 (0.61) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3357412 0.90 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL2185714 0.87 CHRNB2 (0.50) CHRNB2CHRNA4
SCHEMBL7921214 0.87 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL7927942 0.85 CHRNB2 (0.55) CHRNB2CHRNA4
SCHEMBL3358357 0.83 CHRNB2 (0.64) CHRNB2CHRNA4
SCHEMBL3358669 0.82 CHRNB2 (0.69) CHRNB2CHRNA4
SCHEMBL3359336 0.82 CHRNB2 (0.69) CHRNB2CHRNA4
SCHEMBL13307518 0.82 CHRNB2 (0.69) CHRNB2CHRNA4

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
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 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-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885

“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.