SCHEMBL7603666

SCHEMBL7603666

CCC(C)[C@]1(C[C@H]2CCC[C@@H](Nc3ccc4ccccc4n3)C2)NC(=N)N(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.46
CTSD P07339 8/20 0.46
MCHR1 Q99705 8/20 0.42
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CXCR3 P49682 1/20 0.34
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL8412199 0.85 BACE1 (0.48) BACE1CTSDMCHR1DDB1CRBN
SCHEMBL7560123 0.85 BACE1 (0.49) BACE1CTSDMCHR1DDB1CRBN
SCHEMBL13054159 0.85 BACE1 (0.49) BACE1CTSDMCHR1DDB1CRBN
SCHEMBL8411137 0.84 BACE1 (0.48) BACE1CTSDMCHR1DDB1CRBN
SCHEMBL7570323 0.83 BACE1 (0.48) BACE1CTSDMCHR1DDB1CRBN
SCHEMBL13407672 0.81 BACE1 (0.56) BACE1CTSDMCHR1DDB1CRBN
SCHEMBL7541503 0.81 CTSD (0.47) BACE1CTSDMCHR1DDB1CRBN
SCHEMBL7546165 0.81 BACE1 (0.56) BACE1CTSDMCHR1DDB1CRBN
SCHEMBL2969339 0.74 BACE1 (0.49) BACE1CTSDMCHR1CXCR3
SCHEMBL2969336 0.74 BACE1 (0.49) BACE1CTSDMCHR1CXCR3

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-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

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 BACE1 8/4885CTSD 13/4885MCHR1 830/4885

“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.