SCHEMBL3358258

SCHEMBL3358258

c1cc(COCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.70
CHRNA4 P43681 14/20 0.70
CHRNA3 P32297 2/20 0.70
CHRNB3 Q05901 2/20 0.70
CHRNA6 Q15825 2/20 0.70
AKT1 P31749 2/20 0.54

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
SCHEMBL3358522 0.93 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13335284 0.92 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3357008 0.91 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3360278 0.91 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3359029 0.91 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3361026 0.91 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3361073 0.90 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3357355 0.90 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3361437 0.90 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3360878 0.89 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 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
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 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 (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-20100152450-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.