SCHEMBL10198017

SCHEMBL10198017

CC1=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)C(C)(C)C(=O)N1C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 18/20 0.48
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL567988 0.87 BACE2 (0.61) BACE2
SCHEMBL567987 0.87 BACE2 (0.61) BACE2
SCHEMBL10198047 0.81 BACE2 (0.57) BACE2BACE1
SCHEMBL10198041 0.81 BACE2 (0.51) BACE2BACE1
SCHEMBL10198039 0.78 BACE2 (0.46) BACE2
SCHEMBL10198014 0.78 TSHR (0.42) BACE1ALDH1A1
SCHEMBL287035 0.77 BACE2 (0.44) BACE2BACE1ALDH1A1
SCHEMBL287036 0.77 BACE2 (0.44) BACE2BACE1ALDH1A1
SCHEMBL569135 0.69 BACE2 (0.67) BACE2
SCHEMBL4077694 0.68 BACE1 (0.47) BACE2BACE1ALDH1A1HIF1A

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 BACE2 1/4885BACE1 2/4885ALDH1A1 326/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 BACE2 1/4885BACE1 2/4885ALDH1A1 326/4885

“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.