SCHEMBL19853718

SCHEMBL19853718

CC(C)CNC1CCC2(CC1)CN(C(C(N)=O)[C@@H](C)O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
OPRK1 P41145 1/20 0.35
PEPD P12955 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL24634181 1.00 GRIN2B (0.41) GRIN2BGRIN2COPRK1PEPDSMYD3
SCHEMBL19854883 0.92 GRIN2B (0.38) GRIN2BGRIN2COPRK1
SCHEMBL19853728 0.84 GRIN2B (0.42) GRIN2BGRIN2C
SCHEMBL19853735 0.83 GRIN2B (0.41) GRIN2BGRIN2CLMNA
SCHEMBL23153058 0.83 OPRK1 (0.33) OPRK1SMYD3LMNACYP1A2CYP2D6
SCHEMBL19853719 0.83 OPRK1 (0.33) OPRK1SMYD3LMNACYP1A2CYP2D6
SCHEMBL19853669 0.82 OPRK1 (0.33) OPRK1SMYD3LMNACYP1A2CYP2D6
SCHEMBL19854868 0.82 OPRK1 (0.33) OPRK1SMYD3LMNACYP1A2CYP2D6
SCHEMBL19853754 0.82 GRIN2B (0.46) GRIN2BGRIN2C
SCHEMBL19839385 0.82 GRIN2B (0.46) GRIN2BGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885OPRK1 30/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885OPRK1 30/4885
US-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR GRIN2A, GRIN2B, GRIN1 GRIN2B 2/4885GRIN2C 4/4885OPRK1 147/4885
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885OPRK1 30/4885

“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.