SCHEMBL568438

SCHEMBL568438

CN1C(=O)C[C@]2(CCc3ccc([N+](=O)[O-])cc32)N=C1N(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
GAA P10253 3/20 0.31
ALDH1A1 P00352 3/20 0.31
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31
GABRA2 P47869 2/20 0.30
GABRA6 Q16445 1/20 0.30
HTT P42858 1/20 0.30
CCKBR P32239 1/20 0.30
OPRK1 P41145 1/20 0.30
MC3R P41968 1/20 0.30
GABRB2 P47870 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL15961237 0.81 SIRT2 (0.35) LMNASIRT2RXRARXRBRXRG
SCHEMBL15961238 0.81 SIRT2 (0.35) LMNASIRT2RXRARXRBRXRG
SCHEMBL10198037 0.79 LMNA (0.38) LMNASIRT2GAAALDH1A1GABRA1
SCHEMBL15976459 0.76 BACE1 (0.47) LMNASIRT2ALDH1A1GABRA1GABRG2
SCHEMBL990539 0.67 BACE1 (0.37) GAAALDH1A1HTTAKR1B1
SCHEMBL990540 0.67 BACE1 (0.37) GAAALDH1A1HTTAKR1B1
SCHEMBL2892930 0.64 BACE1 (0.35)
SCHEMBL17907552 0.63 BACE1 (0.43) LMNAGAAALDH1A1HTTAKR1B1
SCHEMBL1991655 0.62 AKR1B1 (0.35) LMNAGAAALDH1A1HTTAKR1B1
SCHEMBL9593368 0.62 ALDH1A1 (0.51) LMNASIRT2GAAALDH1A1GABRA1

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 2 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-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 LMNA 3282/4885SIRT2 143/4885RXRA 4331/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 LMNA 3282/4885SIRT2 143/4885RXRA 4331/4885

“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.