SCHEMBL2055673

SCHEMBL2055673

COc1ccc(-c2cc(NC(=O)CCCN3CCOCC3)[nH]n2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CHRNA3 P32297 2/20 0.49
PARP1 P09874 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CACNA1G O43497 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APP P05067 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
SCHEMBL2055666 0.92 CHRNA3 (0.55) GSK3AGSK3BCHRNA3CACNA1G
SCHEMBL2055659 0.91 CHRNA3 (0.56) GSK3AGSK3BCHRNA3CACNA1G
SCHEMBL2055680 0.91 CHRNA3 (0.56) GSK3AGSK3BCHRNA3CACNA1G
SCHEMBL2055653 0.91 CHRNA3 (0.56) GSK3AGSK3BCHRNA3CACNA1GMAPK1
SCHEMBL2055684 0.89 CHRNA3 (0.49) GSK3AGSK3BCHRNA3CACNA1GMAPK1
SCHEMBL2055670 0.87 CHRNA3 (0.49) GSK3AGSK3BCHRNA3CACNA1GMAPK1
SCHEMBL2055700 0.85 CHRNA3 (0.49) GSK3AGSK3BCHRNA3MAPK1L3MBTL1
SCHEMBL2055672 0.83 GSK3A (0.53) GSK3AGSK3BCHRNA3PARP1KMT2A
SCHEMBL2055669 0.83 CHRNA3 (0.54) GSK3AGSK3BCHRNA3MAPK1L3MBTL1
SCHEMBL2055699 0.83 CHRNA3 (0.51) GSK3AGSK3BCHRNA3MAPK1L3MBTL1

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 GSK3A 677/4885GSK3B 778/4885CHRNA3 5/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 GSK3A 509/4885GSK3B 551/4885CHRNA3 5/4885

“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.