SCHEMBL21034523

SCHEMBL21034523

C[C@@H](O)[C@@H](C(N)=O)N1CC2(CCC(OCc3ccccc3)CC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
DPP4 P27487 1/20 0.42
SIGMAR1 Q99720 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
EPHX2 P34913 1/20 0.38
BCHE P06276 2/20 0.38
TMEM97 Q5BJF2 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AGTR2 P50052 2/20 0.36
BDKRB2 P30411 2/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 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
SCHEMBL19853726 1.00 OPRM1 (0.42) OPRM1OPRL1DPP4SIGMAR1GRIN2B
SCHEMBL19853771 0.85 GRIN2B (0.41) OPRM1DPP4SIGMAR1GRIN2BGRIN2C
SCHEMBL19853717 0.83 DPP4 (0.44) OPRM1OPRL1DPP4SIGMAR1GRIN2B
SCHEMBL19853770 0.83 DPP4 (0.44) OPRM1OPRL1DPP4SIGMAR1GRIN2B
SCHEMBL19853721 0.82 DPP4 (0.43) OPRM1OPRL1DPP4SIGMAR1GRIN2B
SCHEMBL19853696 0.82 DPP4 (0.43) OPRM1OPRL1DPP4SIGMAR1GRIN2B
SCHEMBL19853720 0.80 DPP4 (0.41) OPRM1OPRL1DPP4SIGMAR1GRIN2B
SCHEMBL19853694 0.80 DPP4 (0.41) OPRM1OPRL1DPP4SIGMAR1GRIN2B
SCHEMBL30801716 0.76 CCR1 (0.51) DPP4CYP2C19
SCHEMBL19853733 0.76 DPP4 (0.47) OPRM1OPRL1DPP4SIGMAR1GRIN2B

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 2 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-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2019-05-30 US 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 (2 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 OPRM1 35/4885OPRL1 27/4885DPP4 2195/4885
US-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR GRIN2A, GRIN2B, GRIN1 OPRM1 353/4885OPRL1 55/4885DPP4 3041/4885

“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.