SCHEMBL608401

SCHEMBL608401

CC(C)C[CH]NC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
DPP7 Q9UHL4 2/20 0.35
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
RRM1 P23921 1/20 0.31
NPY4R P50391 3/20 0.31
NPY1R P25929 2/20 0.31
NPY2R P49146 2/20 0.31
NPY5R Q15761 2/20 0.31
SLC15A1 P46059 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
SCHEMBL606974 0.83 SIRT6 (0.35) NOS1NPY4RNPY1R
SCHEMBL608402 0.83 NOS1 (0.49) NOS1DPP7GNAI3GNAO1GNAI1
SCHEMBL608079 0.81 ITGB3 (0.32) NPY4RNPY1RNPY2RNPY5R
SCHEMBL606318 0.81 NPY4R (0.30) NPY4RNPY1R
SCHEMBL1327534 0.81 NPY4R (0.30) NPY4RNPY1R
SCHEMBL607110 0.80 NMT2 (0.35) NPY4RNPY1RNPY2RNPY5R
SCHEMBL608879 0.80
SCHEMBL605664 0.80 APEX1 (0.31)
SCHEMBL607567 0.79 GRIN1 (0.31)
SCHEMBL607658 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP disclosed
US-9233115-B2 Proteasome inhibitors and methods of using the same MILLENNIUM PHARMACEUTICALS INC. (US) 2016-01-12 US disclosed
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same CEPHALON, INC. (US) 2014-03-27 US disclosed
US-8546608-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2013-10-01 US disclosed
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2012-02-16 US disclosed
US-8058262-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-11-15 US disclosed
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 US disclosed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 US disclosed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP disclosed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US disclosed
US-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 US disclosed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP disclosed
EP-1658255-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-02-18 EP disclosed
US-7223745-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2007-05-29 US disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
US-20050059636-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. 2005-03-17 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 (6 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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 NOS1 4146/4885DPP7 1446/4885GNAI3 1874/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NOS1 4146/4885DPP7 1446/4885GNAI3 1874/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NOS1 4146/4885DPP7 1446/4885GNAI3 1874/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 NOS1 4146/4885DPP7 1446/4885GNAI3 1874/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NOS1 4146/4885DPP7 1446/4885GNAI3 1874/4885
US-20050059636-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NOS1 4146/4885DPP7 1446/4885GNAI3 1874/4885

“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.