SCHEMBL19853388

SCHEMBL19853388

COc1ccc(CN2CC3(CC(N[C@H](C(N)=O)[C@@H](C)O)CN3C(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
BACE1 P56817 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MMP1 P03956 3/20 0.35
MMP13 P45452 2/20 0.35
MMP9 P14780 2/20 0.35
MAPT P10636 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
OPRM1 P35372 1/20 0.34

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
SCHEMBL19838919 1.00 KMT2A (0.39) KMT2AMEN1GRIN2BGRIN2CALDH1A1
SCHEMBL19838985 0.93 TSHR (0.38) KMT2AMEN1ALDH1A1LMNABACE1
SCHEMBL19838987 0.93 TSHR (0.38) KMT2AMEN1ALDH1A1LMNABACE1
SCHEMBL19853389 0.93 TSHR (0.38) KMT2AMEN1ALDH1A1LMNABACE1
SCHEMBL19853462 0.88 MEN1 (0.38) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL19838997 0.88 MEN1 (0.38) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL22085798 0.88 KMT2A (0.42) KMT2AMEN1GRIN2BGRIN2CALDH1A1
SCHEMBL19838968 0.82 OPRM1 (0.38) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL19838967 0.82 OPRM1 (0.38) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL19853303 0.80 MMP1 (0.41) KMT2AMEN1ALDH1A1LMNABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490994-B1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2024-02-07 EP disclosed
US-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-09-01 US disclosed
CN-109661398-B Spiro-lactam and di-spiro-lactam NMDA receptor modulators and uses thereof 阿普廷伊克斯股份有限公司 2022-07-05 CN disclosed
US-20220098211-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. 2022-03-31 US disclosed
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-06-08 US disclosed
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-06-08 US disclosed
WO-2021021996-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR APTINYX INC. (US) 2021-02-04 WO disclosed
US-20200181159-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2020-06-11 US disclosed
US-20200181159-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2020-06-11 US disclosed
WO-2018026792-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 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 (4 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-20200181159-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C KMT2A 1813/4885MEN1 3237/4885GRIN2B 4/4885
US-20220098211-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C KMT2A 1813/4885MEN1 3237/4885GRIN2B 4/4885
US-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR GRIN2A, GRIN2B, GRIN1 KMT2A 1340/4885MEN1 949/4885GRIN2B 2/4885
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C KMT2A 1813/4885MEN1 3237/4885GRIN2B 4/4885

“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.