SCHEMBL2055700

SCHEMBL2055700

COc1ccc(F)cc1-c1cc(NC(=O)CCCN2CCCOCC2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 4/20 0.49
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KCNH2 Q12809 2/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2055664 0.93 CHRNA3 (0.55) CHRNA3KCNH2
SCHEMBL2055681 0.92 CHRNA3 (0.56) CHRNA3CCNT1CDK9KCNH2
SCHEMBL2055662 0.92 CHRNA3 (0.56) CHRNA3CCNT1CDK9KCNH2
SCHEMBL2055670 0.91 CHRNA3 (0.49) CHRNA3CDK9MAPK1L3MBTL1GSK3A
SCHEMBL2055653 0.89 CHRNA3 (0.56) CHRNA3MAPK1L3MBTL1GSK3AGSK3B
SCHEMBL2055684 0.88 CHRNA3 (0.49) CHRNA3MAPK1L3MBTL1GSK3AGSK3B
SCHEMBL2055696 0.87 CHRNA3 (0.51) CHRNA3MAPK1L3MBTL1GSK3AGSK3B
SCHEMBL2055673 0.85 GSK3A (0.51) CHRNA3MAPK1L3MBTL1GSK3AGSK3B
SCHEMBL2055699 0.84 CHRNA3 (0.51) CHRNA3MAPK1L3MBTL1GSK3AGSK3B
SCHEMBL2055651 0.84 CHRNA3 (0.66) CHRNA3GSK3AGSK3BKCNH2

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 5/4885CCNT1 4374/4885CDK9 2806/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CHRNA3 5/4885CCNT1 4587/4885CDK9 1492/4885

“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.