SCHEMBL7564030

SCHEMBL7564030

CC1(c2ccc3sccc3c2)CC(=O)N(CCCO)C(=N)N1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CNR1 P21554 1/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
KCNH2 Q12809 2/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL8203357 1.00 REN (0.37) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL7551763 0.97 REN (0.37) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL12173773 0.97 REN (0.37) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL2962499 0.94 REN (0.38) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL2962502 0.94 REN (0.38) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL7566673 0.91 SLC6A2 (0.36) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL2970521 0.86 REN (0.37) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL7572942 0.86 SLC6A4 (0.36) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL2970523 0.86 REN (0.37) RENCTSDBACE1SLC6A2SLC6A4
SCHEMBL12173515 0.85 REN (0.33) RENCTSDBACE1SLC6A2SLC6A4

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
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
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 REN 258/4885CTSD 13/4885BACE1 8/4885

“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.