SCHEMBL2055656

SCHEMBL2055656

O=C(CCCN1CCOCC1)Nc1cc(-c2cccc(F)c2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
CHRNA3 P32297 1/20 0.46
ATM Q13315 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRNA7 P36544 1/20 0.44
EPHX2 P34913 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
SCHEMBL2055652 0.91 KCNH2 (0.68) KCNH2GSK3AGSK3BCHRNA3CHRNA7
SCHEMBL2055643 0.90 KCNH2 (0.69) KCNH2GSK3AGSK3BCHRNA3CHRNA7
SCHEMBL2055687 0.89 GSK3A (0.67) GSK3AGSK3BCHRNA3CYP2C19
SCHEMBL2055622 0.87 KCNH2 (0.66) KCNH2GSK3AGSK3BCHRNA3CHRNA7
SCHEMBL2055695 0.84 KCNH2 (0.61) KCNH2GSK3AGSK3BCHRNA3
SCHEMBL2055655 0.83 GSK3A (0.52) GSK3AGSK3BCHRNA3EPHX2
SCHEMBL2055671 0.83 CHRNA3 (0.53) KCNH2GSK3AGSK3BCHRNA3CYP2D6
SCHEMBL2055627 0.82 KCNH2 (0.54) KCNH2GSK3AGSK3BCHRNA3CHRNA7
SCHEMBL2055697 0.82 GSK3A (0.53) GSK3AGSK3BCHRNA3
SCHEMBL2055670 0.81 CHRNA3 (0.49) KCNH2GSK3AGSK3BCHRNA3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1263/4885GSK3A 677/4885GSK3B 778/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 KCNH2 909/4885GSK3A 509/4885GSK3B 551/4885

“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.