SCHEMBL2055604

SCHEMBL2055604

COc1ccc(-c2n[nH]c(NC(=O)CCCCN3CCCCCC3)c2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 4/20 0.72
KCNH2 Q12809 3/20 0.67
CHRNA7 P36544 1/20 0.63

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
SCHEMBL2090433 1.00 CHRNA3 (0.72) CHRNA3KCNH2CHRNA7
SCHEMBL2055766 0.97 CHRNA3 (0.71) CHRNA3KCNH2CHRNA7
SCHEMBL2055770 0.96 CHRNA3 (0.69) CHRNA3KCNH2CHRNA7
SCHEMBL2055603 0.92 KCNH2 (0.75) CHRNA3KCNH2CHRNA7
SCHEMBL2089449 0.83 CHRNA3 (1.00) CHRNA3KCNH2CHRNA7
SCHEMBL2055768 0.83 CHRNA3 (0.52) CHRNA3KCNH2CHRNA7
SCHEMBL2055772 0.82 KCNH2 (0.51) CHRNA3KCNH2CHRNA7
SCHEMBL2055594 0.80 CHRNA3 (0.70) CHRNA3KCNH2CHRNA7
SCHEMBL2055629 0.79 CHRNA3 (0.69) CHRNA3KCNH2CHRNA7
SCHEMBL14006229 0.78 MAPT (0.83) CHRNA3

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 CHRNA3 5/4885KCNH2 1263/4885CHRNA7 1/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CHRNA3 5/4885KCNH2 909/4885CHRNA7 1/4885

“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.