SCHEMBL3639191

SCHEMBL3639191

CN(CC(CC(=O)O)CC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
CTSS P25774 2/20 0.40
HTR2C P28335 5/20 0.38
SLC6A4 P31645 5/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSH P09668 1/20 0.36
HTR2A P28223 1/20 0.33
CACNA1B Q00975 1/20 0.32
NPY5R Q15761 1/20 0.32
REN P00797 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
SCHEMBL3639189 1.00 CTSK (0.40) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL3770470 0.82 CTSK (0.37) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL3770473 0.82 CTSK (0.37) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL2990720 0.81 CTSK (0.41) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL499190 0.80 CTSK (0.40) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL499191 0.80 CTSK (0.40) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL24991144 0.77 CTSK (0.37) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL8911411 0.74 HTR2C (0.42) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL21574018 0.74 HTR2C (0.42) CTSKCTSSHTR2CSLC6A4CTSL
SCHEMBL4803683 0.74 CTSK (0.39) CTSKCTSSHTR2CSLC6A4CTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO 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-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 CTSK 95/4885CTSS 91/4885HTR2C 4565/4885

“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.