SCHEMBL568642

SCHEMBL568642

CC(C)(C)OC(=O)NC1=N[C@](C)(c2cccc(N)c2)CC(=O)N1CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.38
DRD2 P14416 4/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.34
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
SCN9A Q15858 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
SCHEMBL287406 0.90 BACE1 (0.40) BACE1HCRTR1HCRTR2BACE2REN
SCHEMBL287405 0.90 BACE1 (0.40) BACE1HCRTR1HCRTR2BACE2REN
SCHEMBL568706 0.87 MAPT (0.40) BACE1DRD2HCRTR1HCRTR2
SCHEMBL287423 0.86 BACE1 (0.42) BACE1RENCTSD
SCHEMBL287424 0.86 BACE1 (0.42) BACE1RENCTSD
SCHEMBL299155 0.84 BACE1 (0.47) BACE1HCRTR1HCRTR2BACE2CTSD
SCHEMBL299154 0.84 BACE1 (0.47) BACE1HCRTR1HCRTR2BACE2CTSD
SCHEMBL286943 0.79 BACE1 (0.47) BACE1BACE2RENCTSD
SCHEMBL286944 0.79 BACE1 (0.47) BACE1BACE2RENCTSD
SCHEMBL10198055 0.78 BACE1 (0.41) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 US disclosed
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 US disclosed
US-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US disclosed
US-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US disclosed
EP-2603496-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) 2012-02-09 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-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 BACE1 2/4885DRD2 959/4885HCRTR1 1406/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 BACE1 2/4885DRD2 959/4885HCRTR1 1406/4885

“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.