SCHEMBL2055653

SCHEMBL2055653

COc1ccccc1-c1cc(NC(=O)CCCN2CCOCC2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 2/20 0.56
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CACNA1G O43497 2/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2055651 0.91 CHRNA3 (0.66) CHRNA3GSK3AGSK3BCACNA1GDRD2
SCHEMBL2055673 0.91 GSK3A (0.51) CHRNA3GSK3AGSK3BKDM4EHSD17B10
SCHEMBL13485279 0.90 CHRNA3 (0.68) CHRNA3GSK3AGSK3BCACNA1GNPSR1
SCHEMBL2055684 0.90 CHRNA3 (0.49) CHRNA3GSK3AGSK3BKDM4EHSD17B10
SCHEMBL2055670 0.90 CHRNA3 (0.49) CHRNA3GSK3AGSK3BKDM4ECACNA1G
SCHEMBL2055700 0.89 CHRNA3 (0.49) CHRNA3GSK3AGSK3BKDM4EMAPK1
SCHEMBL2055672 0.89 GSK3A (0.53) CHRNA3GSK3AGSK3BNPSR1MEN1
SCHEMBL2055634 0.88 CHRNA3 (0.72) CHRNA3HTR1AHTR7
SCHEMBL2055630 0.88 CHRNA3 (0.72) CHRNA3HTR1AHTR7
SCHEMBL2055618 0.85 GSK3A (0.51) CHRNA3GSK3AGSK3BHSD17B10CACNA1G

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 5 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

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