SCHEMBL2199235

SCHEMBL2199235

CON(C)C(=O)C1CCN(C(=O)O)C(Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 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
SCHEMBL6952343 0.81 L3MBTL1 (0.49) TACR1POLBL3MBTL1ABCB1
SCHEMBL206989 0.80 TACR1 (0.46) TACR1L3MBTL1
SCHEMBL12482320 0.79 SMN1; SMN2 (0.48) TACR1ALDH1A1KDM4E
SCHEMBL23071604 0.77 TACR1 (0.35) TACR1ALDH1A1HPGDPOLBKDM4E
SCHEMBL206205 0.77 OPRM1 (0.43) TACR1ALDH1A1HPGDHSD17B10
SCHEMBL12483003 0.77 TACR1 (0.45) TACR1ALDH1A1
SCHEMBL9277994 0.76 MGLL (0.44) ALDH1A1L3MBTL1
SCHEMBL29270706 0.76 TACR1 (0.47) TACR1ABCB1
SCHEMBL580852 0.76 PSEN1 (0.49) TACR1NPSR1ALDH1A1MAPTHPGD
SCHEMBL896148 0.75 KDM4E (0.57) POLBKDM4EL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114942-B1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS MSD KK (JP) 2012-10-31 EP disclosed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (1 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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 TACR1 3605/4885NPSR1 2770/4885ALDH1A1 3451/4885

“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.