SCHEMBL2055672

SCHEMBL2055672

Cc1ccccc1-c1cc(NC(=O)CCCN2CCOCC2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
SMYD2 Q9NRG4 2/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRNA3 P32297 1/20 0.47
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.45
CYP2C19 P33261 1/20 0.45
PARP1 P09874 1/20 0.45
TERT O14746 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RAB9A P51151 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
SCHEMBL2055710 0.91 SMYD2 (0.49) GSK3AGSK3BSMYD2CHRNA3
SCHEMBL2055668 0.91 SMYD2 (0.52) GSK3AGSK3BSMYD2CHRNA3
SCHEMBL2055660 0.90 CHRNA3 (0.52) GSK3AGSK3BSMYD2CHRNA3
SCHEMBL2055685 0.90 CHRNA3 (0.52) GSK3AGSK3BSMYD2CHRNA3
SCHEMBL2055653 0.89 CHRNA3 (0.56) GSK3AGSK3BMEN1KMT2ANPSR1
SCHEMBL2055618 0.86 GSK3A (0.51) GSK3AGSK3BMEN1KMT2ANPSR1
SCHEMBL2055687 0.86 GSK3A (0.67) GSK3AGSK3BCHRNA3LMNACYP2C19
SCHEMBL2055673 0.83 GSK3A (0.51) GSK3AGSK3BKMT2ACHRNA3PARP1
SCHEMBL2055675 0.82 ALPL (0.55) GSK3AGSK3BKMT2ALMNA
SCHEMBL2055670 0.81 CHRNA3 (0.49) GSK3AGSK3BKMT2ACHRNA3

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 778/4885SMYD2 4337/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 GSK3A 509/4885GSK3B 551/4885SMYD2 4420/4885

“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.