SCHEMBL12410061

SCHEMBL12410061

CN1C(=N)N[C@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.49
CTSD P07339 3/20 0.49
DCUN1D1 Q96GG9 13/20 0.49
UBE2M P61081 11/20 0.49
EPHX2 P34913 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7541442 0.91 BACE1 (0.54) BACE1CTSDDCUN1D1UBE2MEPHX2
SCHEMBL7537996 0.90 BACE1 (0.56) BACE1CTSDEPHX2KMT2A
SCHEMBL7539241 0.88 CCR3 (0.51) BACE1CTSDMEN1KMT2A
SCHEMBL7539672 0.87 CXCR3 (0.51) BACE1CTSDEPHX2
SCHEMBL11934210 0.87 CXCR3 (0.51) BACE1CTSDEPHX2
SCHEMBL8266664 0.85 BACE1 (0.54) BACE1CTSDKMT2A
SCHEMBL7536847 0.84 BACE1 (0.56) BACE1CTSDEPHX2MEN1KMT2A
SCHEMBL12173877 0.83 BACE1 (0.66) BACE1CTSDEPHX2
SCHEMBL8198984 0.83 BACE1 (0.66) BACE1CTSDEPHX2
SCHEMBL7540070 0.83 BACE1 (0.66) BACE1CTSDEPHX2

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-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 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 (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-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885CTSD 13/4885DCUN1D1 1298/4885

“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.