SCHEMBL15936852

SCHEMBL15936852

COC(=O)C1(CO)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
CTSK P43235 1/20 0.36
JAK3 P52333 2/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
NR1H2 P55055 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
EPHX2 P34913 1/20 0.32
HPGD P15428 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL31503768 0.91 USP2 (0.35) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL16757262 0.88 GRIN2B (0.35) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL25297924 0.87 GRIN2B (0.37) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL1950040 0.87 CYP4F2 (0.40) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL20437959 0.86 GRIN2B (0.37) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL31527365 0.86 GRIN2B (0.37) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL444048 0.86 GRIN2B (0.37) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL19614479 0.85 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL19614453 0.85 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL15924562 0.85 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2

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-20210308101-A1 METHODS OF TREATING FIBROMYALGIA APTINYX INC (US) 2021-10-07 US disclosed
US-20210155632-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2021-05-27 US disclosed
US-20210155632-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2021-05-27 US disclosed
EP-2951182-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2020-03-18 EP disclosed
US-10441572-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-10-15 US disclosed
US-10441571-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-10-15 US disclosed
US-20180244680-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2018-08-30 US disclosed
US-20180215767-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2018-08-02 US disclosed
US-20180215767-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2018-08-02 US disclosed
US-20180215767-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2018-08-02 US disclosed
US-20180179218-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2018-06-28 US disclosed
US-20180179218-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2018-06-28 US disclosed
US-20180179218-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2018-06-28 US disclosed
US-9828384-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-11-28 US disclosed
US-9828384-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-11-28 US disclosed
US-9828384-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-11-28 US disclosed
US-20150368252-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2015-12-24 US disclosed
US-20150368252-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2015-12-24 US disclosed
US-20150368252-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2015-12-24 US disclosed
WO-2014120784-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 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 (8 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-20180179218-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885CTSK 4114/4885
US-20180244680-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885CTSK 4114/4885
US-20210308101-A1 METHODS OF TREATING FIBROMYALGIA LPXN, LPAR5, INA GRIN2B 415/4885GRIN2C 449/4885CTSK 1232/4885
US-20180215767-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885CTSK 4114/4885
US-20210155632-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885CTSK 4114/4885
US-20150368252-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B GRIN2B 3/4885GRIN2C 6/4885CTSK 4565/4885
US-10441571-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885CTSK 4114/4885
US-10441572-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885CTSK 4114/4885

“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.