SCHEMBL2055652

SCHEMBL2055652

O=C(CCCN1CCCC1)Nc1cc(-c2cccc(F)c2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.68
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA3 P32297 3/20 0.52
ALDH1A1 P00352 1/20 0.45
ACP1 P24666 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
SCHEMBL2055643 0.99 KCNH2 (0.69) KCNH2GSK3AGSK3BCHRNA7CHRNA3
SCHEMBL2055622 0.96 KCNH2 (0.66) KCNH2GSK3AGSK3BCHRNA7CHRNA3
SCHEMBL2055656 0.91 KCNH2 (0.57) KCNH2GSK3AGSK3BCHRNA7CHRNA3
SCHEMBL2055715 0.89 KCNH2 (0.53) KCNH2GSK3AGSK3BCHRNA3ALDH1A1
SCHEMBL2055734 0.89 CHRNA3 (0.62) KCNH2GSK3AGSK3BCHRNA7CHRNA3
SCHEMBL2055679 0.88 GSK3A (0.65) KCNH2GSK3AGSK3BCHRNA7CHRNA3
SCHEMBL2055627 0.88 KCNH2 (0.54) KCNH2GSK3AGSK3BCHRNA7CHRNA3
SCHEMBL2055720 0.88 KCNH2 (0.55) KCNH2GSK3AGSK3BCHRNA3ALDH1A1
SCHEMBL1858599 0.88 CHRNA3 (0.64) KCNH2GSK3AGSK3BCHRNA7CHRNA3
SCHEMBL2055646 0.88 CHRNA3 (0.64) KCNH2GSK3AGSK3BCHRNA7CHRNA3

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 1263/4885GSK3A 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.