SCHEMBL12410201

SCHEMBL12410201

CCCC[C@H]1CN(Cc2ccc(CN3C(=N)N[C@](CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=N)N1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.53
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
CTSD P07339 5/20 0.32
CCR5 P51681 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
SCHEMBL7584937 0.95 BACE1 (0.60) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL7518412 0.90 BACE1 (0.65) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL7512580 0.90 BACE1 (0.65) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL7518108 0.88 BACE1 (0.62) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL13407706 0.86 BACE1 (0.61) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL7518711 0.82 BACE1 (0.48) BACE1GRM2CTSD
SCHEMBL17715613 0.81 BACE1 (0.42) BACE1LMNAHTTALDH1A1CTSD
SCHEMBL17551697 0.81 BACE1 (0.42) BACE1LMNAALDH1A1CTSD
SCHEMBL17568880 0.81 BACE1 (0.42) BACE1MEN1ALDH1A1KMT2AGRM2
SCHEMBL12503319 0.81 BACE1 (0.42) BACE1LMNAHTTALDH1A1KMT2A

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 8/4885LMNA 2420/4885HTT 1781/4885

“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.