SCHEMBL10198014

SCHEMBL10198014

CC1=N[C@](C)(c2cccc([N+](=O)[O-])c2)C(C)(C)C(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 2/20 0.40
KDM1A O60341 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRND Q07001 1/20 0.39
TDP1 Q9NUW8 2/20 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
SCHEMBL10198017 0.78 BACE2 (0.48) ALDH1A1BACE1
SCHEMBL10198024 0.76 BACE1 (0.47) TSHRACHELMNAKDM1AL3MBTL1
SCHEMBL569175 0.76 SMN1; SMN2 (0.43) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL569176 0.76 SMN1; SMN2 (0.43) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL10198034 0.71 ALDH1A1 (0.39) TSHRACHELMNAKDM1AL3MBTL1
SCHEMBL2884760 0.68 BACE1 (0.51) BACE1
SCHEMBL12250596 0.68 BACE1 (0.66) BACE1
SCHEMBL7512217 0.68 BACE1 (0.53) TSHRACHELMNAKDM1AL3MBTL1
SCHEMBL7524023 0.67 KDM1A (0.43) TSHRACHELMNAKDM1AL3MBTL1
SCHEMBL7557110 0.65 TDP1 (0.46) TSHRACHELMNAKDM1AL3MBTL1

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 3 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-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US 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 TSHR 3173/4885ACHE 331/4885LMNA 3282/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 TSHR 3173/4885ACHE 331/4885LMNA 3282/4885

“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.