SCHEMBL7933725

SCHEMBL7933725

CC(O)C(NC(=O)OCc1ccccc1)C(=O)N1C[C@@]2(CCCN2C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.46
CTSS P25774 5/20 0.46
CTSK P43235 7/20 0.45
CTSB P07858 2/20 0.45
CCR1 P32246 2/20 0.44
CAPN1 P07384 2/20 0.42
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMB5 P28074 1/20 0.41
PREP P48147 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
TGM2 P21980 1/20 0.40

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
SCHEMBL7932040 1.00 CTSL (0.46) CTSLCTSSCTSKCTSBCCR1
SCHEMBL12047518 0.96 CTSL (0.41) CTSLCTSSCTSKCTSBCCR1
SCHEMBL22213480 0.91 GRIN2B (0.38)
SCHEMBL17070985 0.87 GRIN2B (0.40)
SCHEMBL16646195 0.85 GRIN2B (0.41)
SCHEMBL17030274 0.85 GRIN2B (0.41)
SCHEMBL12028815 0.84
SCHEMBL18538176 0.83 HTT (0.37) RAB9A
SCHEMBL17281441 0.83 CCR1 (0.50) CTSLCTSSCTSKCTSBCCR1
SCHEMBL12028816 0.82 SLC15A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802946-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-10-31 US disclosed
US-9802946-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-10-31 US disclosed
US-9593145-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-03-14 US disclosed
US-9593145-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-03-14 US disclosed
US-9512133-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2016-12-06 US disclosed
US-9512133-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2016-12-06 US disclosed
US-20160115197-A1 SECONDARY STRUCTURE STABILIZED NMDA RECEPTOR MODULATORS AND USES THEREOF INNOVIVA TRC HOLDINGS LLC 2016-04-28 US disclosed
US-20160115197-A1 SECONDARY STRUCTURE STABILIZED NMDA RECEPTOR MODULATORS AND USES THEREOF INNOVIVA TRC HOLDINGS LLC 2016-04-28 US disclosed
US-20150336969-A1 NMDA Receptor Modulators and Uses Thereof NAUREX, INC. 2015-11-26 US disclosed
US-20150336969-A1 NMDA Receptor Modulators and Uses Thereof NAUREX, INC. 2015-11-26 US disclosed
EP-2331571-B1 NMDA RECEPTOR MODULATORS AND USES THEREOF UNIV NORTHWESTERN (US) 2015-08-26 EP disclosed
US-9101612-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2015-08-11 US disclosed
US-9101612-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2015-08-11 US disclosed
US-20150105364-A1 NMDA Receptor Modulators and Uses Thereof NORTHWESTERN UNIVERSITY (US) 2015-04-16 US disclosed
US-20150105364-A1 NMDA Receptor Modulators and Uses Thereof NORTHWESTERN UNIVERSITY (US) 2015-04-16 US disclosed
US-20130053325-A1 Secondary Structure Stabilized NMDA Receptor Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2013-02-28 US disclosed
US-20130053325-A1 Secondary Structure Stabilized NMDA Receptor Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2013-02-28 US disclosed
US-20110306586-A1 NMDA Receptor Modulators and Uses Thereof NAUREX, INC. 2011-12-15 US disclosed
WO-2011100585-A1 SECONDARY STRUCTURE STABILIZED NMDA RECEPTOR MODULATORS AND USES THEREOF MOSKAL JOSEPH (US) 2011-08-18 WO disclosed
WO-2010033757-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2010-03-25 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 (5 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-20150336969-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CTSL 4016/4885CTSS 4517/4885CTSK 3566/4885
US-20130053325-A1 Secondary Structure Stabilized NMDA Receptor Modulators and Uses Thereof GRIN2A, GRIN1, GRIN3A CTSL 4593/4885CTSS 4529/4885CTSK 4221/4885
US-20150105364-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CTSL 4016/4885CTSS 4517/4885CTSK 3566/4885
US-20110306586-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CTSL 4016/4885CTSS 4517/4885CTSK 3566/4885
US-20160115197-A1 SECONDARY STRUCTURE STABILIZED NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2A, GRIN1, GRIN3A CTSL 4593/4885CTSS 4529/4885CTSK 4221/4885

“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.