SCHEMBL3275014

SCHEMBL3275014

CCN(C)C(=O)C1CCN(C(C)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 4/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 3/20 0.41
EPHX1 P07099 1/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR5 P51681 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL772196 0.84 CCR5 (0.38) GAAMAPTEPHX2EPHX1MEN1
SCHEMBL14590482 0.84 KDM4E (0.49) BCHEALDH1A1SMN1; SMN2CCR5KDM4E
SCHEMBL23342773 0.81 GAA (0.46) BCHEGAAMAPTCYP46A1ALDH1A1
SCHEMBL12436051 0.81 KDM4E (0.43) GAAMAPTEPHX2EPHX1MEN1
SCHEMBL2964616 0.80
SCHEMBL15342476 0.78 GAA (0.39) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL19021889 0.78 HPGD (0.55) EPHX1KMT2A
SCHEMBL12424455 0.77 BCHE (0.51) BCHECYP46A1SMN1; SMN2KDM4E
SCHEMBL4640201 0.77 BCHE (0.51) BCHECYP46A1SMN1; SMN2KDM4E
SCHEMBL25912480 0.76 POLB (0.62) GAAMAPTALDH1A1L3MBTL1MEN1

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-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 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 (3 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 BCHE 243/4885GAA 3044/4885MAPT 2337/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 BCHE 243/4885GAA 3044/4885MAPT 2337/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 BCHE 243/4885GAA 3044/4885MAPT 2337/4885

“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.