SCHEMBL7590403

SCHEMBL7590403

CN1C(=N)N[C@](C)(c2ccc(F)cc2F)[C@H](c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 8/20 0.32
HTR7 P34969 1/20 0.32
BACE2 Q9Y5Z0 5/20 0.32
ESR1 P03372 1/20 0.31
TACR1 P25103 2/20 0.31
CYP11B2 P19099 1/20 0.30
BRD4 O60885 1/20 0.30
PDE2A O00408 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
SCHEMBL7548323 1.00 MEN1 (0.39) MEN1KMT2ABACE1HTR7BACE2
SCHEMBL7574146 0.93 MEN1 (0.32) MEN1KMT2ABACE1BACE2
SCHEMBL13055281 0.93 MEN1 (0.32) MEN1KMT2ABACE1BACE2
SCHEMBL14105612 0.92 BACE1 (0.32) MEN1KMT2ABACE1BACE2
SCHEMBL7568619 0.92 TP53 (0.34) MEN1KMT2ABACE1BACE2
SCHEMBL13053906 0.92 TP53 (0.34) MEN1KMT2ABACE1BACE2
SCHEMBL7565606 0.92 MEN1 (0.37) MEN1KMT2AHTR7BACE2ESR1
SCHEMBL8203693 0.92 MEN1 (0.37) MEN1KMT2AHTR7BACE2ESR1
SCHEMBL13053891 0.91 MEN1 (0.36) MEN1KMT2AHTR7ESR1TACR1
SCHEMBL7553578 0.91 MEN1 (0.36) MEN1KMT2AHTR7ESR1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 WO 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 (1 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 MEN1 1192/4885KMT2A 4458/4885BACE1 8/4885

“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.