SCHEMBL2055844

SCHEMBL2055844

O=C(CCCN1CCCCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.51
HRH3 Q9Y5N1 1/20 0.51
KCNH2 Q12809 4/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CHRNA7 P36544 1/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL2055654 0.99 GSK3A (0.50) CHRNA3HRH3KCNH2GSK3AGSK3B
SCHEMBL2055626 0.97 CHRNA3 (0.55) CHRNA3HRH3KCNH2GSK3AGSK3B
SCHEMBL2055607 0.97 CHRNA3 (0.55) CHRNA3HRH3KCNH2GSK3AGSK3B
SCHEMBL2055877 0.97 GSK3A (0.48) CHRNA3HRH3KCNH2GSK3AGSK3B
SCHEMBL2055655 0.90 GSK3A (0.52) CHRNA3GSK3AGSK3B
SCHEMBL2055688 0.90 CHRNA3 (0.52) CHRNA3KCNH2GSK3AGSK3BCHRNA7
SCHEMBL2055676 0.90 CHRNA3 (0.52) CHRNA3KCNH2GSK3AGSK3BCHRNA7
SCHEMBL2055872 0.90 KCNH2 (0.52) CHRNA3HRH3KCNH2GSK3AGSK3B
SCHEMBL2055736 0.89 CHRNA3 (0.50) CHRNA3KCNH2GSK3AGSK3B
SCHEMBL1858599 0.89 CHRNA3 (0.64) CHRNA3KCNH2GSK3AGSK3BCHRNA7

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
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 CHRNA3 5/4885HRH3 493/4885KCNH2 1263/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CHRNA3 5/4885HRH3 384/4885KCNH2 909/4885

“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.