SCHEMBL3358754

SCHEMBL3358754

OCC1C[C@H]1c1cncc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.48
CHRNA4 P43681 11/20 0.48
CHRNA3 P32297 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
KDM1A O60341 1/20 0.40
FFAR1 O14842 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL3355291 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3357838 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL13307874 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3355294 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3357842 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL13307909 0.87 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3361005 0.87 FFAR1 (0.46) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3358953 0.86 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3358810 0.83 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3358723 0.83 MAPK1 (0.46) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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 3 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
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 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 (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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885

“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.