SCHEMBL1867741

SCHEMBL1867741

CC(C)CCN(C[C@@H](N)CC1CCCCC1)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.33
CTSD P07339 2/20 0.32
GPR88 Q9GZN0 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSH P09668 1/20 0.32
CPB2 Q96IY4 2/20 0.31
DPP4 P27487 1/20 0.31
METAP2 P50579 1/20 0.30
REN P00797 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
SCHEMBL1863146 0.91 CTSK (0.34) CTSKCTSDGPR88CTSLCTSB
SCHEMBL1862541 0.90 METAP2 (0.34) CTSKGPR88CTSLCTSBCTSH
SCHEMBL1864027 0.89 GPR88 (0.32) CTSKGPR88CTSLCTSBCTSH
SCHEMBL1864029 0.89 GPR88 (0.32) CTSKGPR88CTSLCTSBCTSH
SCHEMBL1860622 0.88 METAP2 (0.38) CTSKGPR88CTSLCTSBMETAP2
SCHEMBL27709482 0.88 METAP2 (0.38) CTSKGPR88CTSLCTSBMETAP2
SCHEMBL1868000 0.87 GPR88 (0.34) CTSKGPR88DPP4METAP2REN
SCHEMBL3612224 0.87 GPR88 (0.34) CTSKGPR88DPP4METAP2REN
SCHEMBL1863823 0.87 METAP2 (0.39) CTSKGPR88CTSLCTSBMETAP2
SCHEMBL1863912 0.85 GPR88 (0.33) CTSKGPR88CTSLCTSBDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 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 (2 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE CTSK 31/4885CTSD 128/4885GPR88 1869/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE CTSK 31/4885CTSD 128/4885GPR88 1869/4885

“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.