SCHEMBL2199776

SCHEMBL2199776

C[C@@H](c1ccc(C(O)[C@H]2CCCN2C)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL2198579 0.81 KDM4E (0.39) CYP2D6
SCHEMBL13504603 0.81 KDM4E (0.39) CYP2D6
SCHEMBL2198755 0.77 CCR5 (0.39) CYP2D6
SCHEMBL2200188 0.76 KDM1A (0.38)
SCHEMBL2196621 0.75 DHODH (0.32) SLC6A9
SCHEMBL6648223 0.74 CHRNB4 (0.55) CHRNB4CHRNA3CYP2D6HTT
SCHEMBL2196452 0.74 OPRD1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL3555656 0.74 ADRA2A (0.40)
SCHEMBL27872589 0.72 CHRNB4 (0.40) CHRNB4CHRNA3HTTMAPK1
SCHEMBL6844135 0.72 SLC6A2 (0.49) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3

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 CHRNB4 3540/4885CHRNA3 3582/4885CYP2D6 3768/4885

“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.