SCHEMBL2055720

SCHEMBL2055720

O=C(CCCN1CCCCC1)Nc1cc(-c2cccc(Cl)c2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.55
ALDH1A1 P00352 1/20 0.53
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CACNA1G O43497 3/20 0.50
CHRNA3 P32297 3/20 0.48

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
SCHEMBL2055715 0.99 KCNH2 (0.53) KCNH2ALDH1A1GSK3AGSK3BCACNA1G
SCHEMBL2055612 0.97 ALDH1A1 (0.52) KCNH2ALDH1A1GSK3AGSK3BCACNA1G
SCHEMBL2055616 0.97 ALDH1A1 (0.52) KCNH2ALDH1A1GSK3AGSK3BCACNA1G
SCHEMBL2055690 0.89 GSK3A (0.64) KCNH2ALDH1A1GSK3AGSK3BCHRNA3
SCHEMBL2055677 0.89 GSK3A (0.64) KCNH2ALDH1A1GSK3AGSK3BCHRNA3
SCHEMBL2055643 0.89 KCNH2 (0.69) KCNH2GSK3AGSK3BCHRNA3
SCHEMBL2055737 0.89 CHRNA3 (0.52) KCNH2GSK3AGSK3BCACNA1GCHRNA3
SCHEMBL2055679 0.88 GSK3A (0.65) KCNH2ALDH1A1GSK3AGSK3BCACNA1G
SCHEMBL2055652 0.88 KCNH2 (0.68) KCNH2ALDH1A1GSK3AGSK3BCHRNA3
SCHEMBL2055733 0.87 GSK3A (0.53) KCNH2GSK3AGSK3BCACNA1GCHRNA3

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 KCNH2 1263/4885ALDH1A1 1232/4885GSK3A 677/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 KCNH2 909/4885ALDH1A1 2163/4885GSK3A 509/4885

“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.