SCHEMBL7571446

SCHEMBL7571446

COc1ccc2c(c1)CCC21C(=O)N(C)C(=N)C[C@]1(C)c1ccc(-c2cccc(C#N)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.45
CTSD P07339 3/20 0.35
MCHR1 Q99705 2/20 0.34
PRF1 P14222 1/20 0.34
TNF P01375 1/20 0.33

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
SCHEMBL12174249 0.86 BACE1 (0.43) BACE1CTSDMCHR1PRF1TNF
SCHEMBL8205555 0.86 BACE1 (0.43) BACE1CTSDMCHR1PRF1TNF
SCHEMBL7563658 0.75 BACE1 (0.43) BACE1CTSDMCHR1
SCHEMBL12174116 0.75 BACE1 (0.43) BACE1CTSDMCHR1
SCHEMBL2970637 0.75 BACE1 (0.43) BACE1CTSDMCHR1
SCHEMBL7570163 0.73 ADAM17 (0.37) BACE1MCHR1TNF
SCHEMBL12174298 0.73 ADAM17 (0.37) BACE1MCHR1TNF
SCHEMBL13558713 0.73 ADAM17 (0.37) BACE1MCHR1TNF
SCHEMBL7553706 0.73 ADAM17 (0.37) BACE1MCHR1TNF
SCHEMBL12174420 0.73 ADAM17 (0.37) BACE1MCHR1TNF

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.