SCHEMBL19839918

SCHEMBL19839918

COc1ccc(CN2CC3(CCC(C)CC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
GRM2 Q14416 1/20 0.48
MMP1 P03956 1/20 0.45
MMP13 P45452 1/20 0.45
CMA1 P23946 1/20 0.45
OPRM1 P35372 9/20 0.44
OPRL1 P41146 9/20 0.44
ALDH1A1 P00352 2/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
RIPK1 Q13546 1/20 0.41

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
SCHEMBL19853665 0.88 GAA (0.48) GAAGRM2MMP1MMP13CMA1
SCHEMBL19839346 0.88 GAA (0.48) GAAGRM2MMP1MMP13CMA1
SCHEMBL19853779 0.86 GAA (0.51) GAAGRM2MMP1MMP13CMA1
SCHEMBL19853781 0.85 MMP1 (0.50) GAAGRM2MMP1MMP13CMA1
SCHEMBL19839342 0.81 RIPK1 (0.46) OPRM1OPRL1MEN1KMT2ARIPK1
SCHEMBL19853302 0.79 GAA (0.50) GAAGRM2MMP1MMP13CMA1
SCHEMBL19853782 0.78 RIPK1 (0.51) GAAOPRM1OPRL1MEN1KMT2A
SCHEMBL19839415 0.78 HDAC11 (0.43) ALDH1A1MEN1KMT2ARIPK1
SCHEMBL19853780 0.78 MEN1 (0.46) OPRM1OPRL1MEN1KMT2ARIPK1
Nevadistinel SCHEMBL19850602 0.77 GAA (0.51) GAAGRM2MMP1MMP13CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490974-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY HONG KONG CO LTD (HK) 2023-12-06 EP disclosed
CN-109906218-B Spiro-lactam NMDA receptor modulators and uses thereof 阿普廷伊克斯股份有限公司 2023-01-17 CN disclosed
US-11512051-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2022-11-29 US 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
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-01-06 US disclosed
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-01-06 US disclosed
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-03-30 US disclosed
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-03-30 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
EP-3490974-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF Aptinyx Inc. (US) 2019-06-05 EP disclosed
US-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2019-05-30 US disclosed
US-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2019-05-30 US disclosed
WO-2018026763-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed
WO-2018026763-A1 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 (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-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GAA 2056/4885GRM2 17/4885MMP1 4215/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A GAA 2056/4885GRM2 17/4885MMP1 4215/4885
US-11512051-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A GAA 2056/4885GRM2 17/4885MMP1 4215/4885
US-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR GRIN2A, GRIN2B, GRIN1 GAA 768/4885GRM2 13/4885MMP1 4673/4885
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GAA 2056/4885GRM2 17/4885MMP1 4215/4885

“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.