SCHEMBL15936862

SCHEMBL15936862

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
CTSK P43235 2/20 0.35
JAK3 P52333 2/20 0.34
TSHR P16473 2/20 0.34
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.32
EPHX2 P34913 1/20 0.32
CCR2 P41597 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 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
SCHEMBL15937140 0.88 GRIN2B (0.44) GRIN2BGRIN2CCTSKJAK3TSHR
SCHEMBL15924187 0.86 GRIN2B (0.46) GRIN2BGRIN2CCTSKJAK3TSHR
SCHEMBL17712367 0.85 GRIN2B (0.42) GRIN2BGRIN2CCTSKJAK3TSHR
SCHEMBL2434996 0.78 GRIN2B (0.44) GRIN2BGRIN2CCTSKJAK3TSHR
SCHEMBL31603639 0.77 USP2 (0.34) GRIN2BGRIN2CCTSKTSHREPHX1
SCHEMBL4309286 0.77 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3EPHX1
SCHEMBL692636 0.77 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3EPHX1
SCHEMBL4437296 0.77 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3EPHX1
SCHEMBL31105410 0.77 GRIN2B (0.48) GRIN2BGRIN2CCTSKJAK3TSHR
SCHEMBL3000663 0.77 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3EPHX1

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
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-10273239-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-04-30 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-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 (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-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-10273239-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885CTSK 4114/4885
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

“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.