SCHEMBL2055872

SCHEMBL2055872

CC(=O)N1CCCN(CCCC(=O)Nc2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
CHRNA7 P36544 1/20 0.52
HRH3 Q9Y5N1 1/20 0.44
CHRNA3 P32297 3/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL2055625 0.97 CHRNA7 (0.55) KCNH2CHRNA7HRH3CHRNA3
SCHEMBL2055877 0.93 GSK3A (0.48) KCNH2CHRNA7HRH3CHRNA3GSK3A
SCHEMBL2055654 0.91 GSK3A (0.50) KCNH2CHRNA7HRH3CHRNA3GSK3A
SCHEMBL2055844 0.90 CHRNA3 (0.51) KCNH2CHRNA7HRH3CHRNA3GSK3A
SCHEMBL2055597 0.88 KCNH2 (0.58) KCNH2CHRNA7CHRNA3
SCHEMBL2055626 0.87 CHRNA3 (0.55) KCNH2HRH3CHRNA3GSK3AGSK3B
SCHEMBL2055607 0.87 CHRNA3 (0.55) KCNH2HRH3CHRNA3GSK3AGSK3B
SCHEMBL2055632 0.87 KCNH2 (0.57) KCNH2CHRNA7CHRNA3
SCHEMBL2055694 0.86 CHRNA7 (0.59) KCNH2CHRNA7CHRNA3GSK3AGSK3B
SCHEMBL2055592 0.86 CHRNA7 (0.59) KCNH2CHRNA7CHRNA3

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 1263/4885CHRNA7 1/4885HRH3 493/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 KCNH2 909/4885CHRNA7 1/4885HRH3 384/4885

“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.