SCHEMBL11928748

SCHEMBL11928748

CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccnc(C(F)(F)F)c3)C2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.51
CTSD P07339 13/20 0.51
EPHX2 P34913 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX1 P07099 1/20 0.34

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 0.87 BACE1 (0.54) BACE1CTSDEPHX2
SCHEMBL12410093 0.86 BACE1 (0.55) BACE1CTSDEPHX2NPC1RAB9A
SCHEMBL7546461 0.86 BACE1 (0.55) BACE1CTSDEPHX2NPC1RAB9A
SCHEMBL7540070 0.85 BACE1 (0.66) BACE1CTSDEPHX2RAB9AEPHX1
SCHEMBL8198984 0.85 BACE1 (0.66) BACE1CTSDEPHX2RAB9AEPHX1
SCHEMBL12173877 0.85 BACE1 (0.66) BACE1CTSDEPHX2RAB9AEPHX1
SCHEMBL13407692 0.84 BACE1 (0.55) BACE1CTSDEPHX2EPHX1
SCHEMBL7541903 0.84 BACE1 (0.55) BACE1CTSDEPHX2EPHX1
SCHEMBL8195387 0.84 BACE1 (0.56) BACE1CTSDEPHX2NPC1RAB9A
SCHEMBL7539501 0.84 BACE1 (0.56) BACE1CTSDEPHX2NPC1RAB9A

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-8242112-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-08-14 US disclosed
US-8242112-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-08-14 US disclosed
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 US disclosed
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 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-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885CTSD 13/4885EPHX2 821/4885

“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.