SCHEMBL568062

SCHEMBL568062

COC(=O)C[C@@]1(N)CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 4/20 0.41
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
POLB P06746 3/20 0.39
AKR1B1 P15121 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10197995 0.89 AKR1B1 (0.41) MEN1KMT2AMAPTALDH1A1AKR1B1
SCHEMBL27901480 0.81 SMN1; SMN2 (0.40) MEN1KMT2AMAPTALDH1A1AKR1B1
SCHEMBL20137427 0.78 HDAC9 (0.40) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL569099 0.76 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1GLA
SCHEMBL569098 0.76 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1GLA
SCHEMBL8521894 0.74 SIRT2 (0.42) MEN1KMT2AMAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL27486730 0.72 GRIN2B (0.44) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL14053944 0.71 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL14053942 0.71 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL20137431 0.70 KMT2A (0.47) MEN1KMT2AMAPT

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 MEN1 408/4885KMT2A 1384/4885MAPT 241/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 MEN1 408/4885KMT2A 1384/4885MAPT 241/4885

“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.