SCHEMBL19853696

SCHEMBL19853696

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
EPHX2 P34913 1/20 0.39
BDKRB2 P30411 2/20 0.38
AGTR2 P50052 2/20 0.36
BCHE P06276 2/20 0.36
MMP1 P03956 3/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TMEM97 Q5BJF2 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
SCHEMBL19853721 1.00 DPP4 (0.43) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL19853770 0.90 DPP4 (0.44) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL19853717 0.90 DPP4 (0.44) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL19853720 0.88 DPP4 (0.41) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL19853694 0.88 DPP4 (0.41) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL19853697 0.85 RIPK1 (0.37) DPP4ALDH1A1POLBL3MBTL1CYP2C19
SCHEMBL21034523 0.82 OPRM1 (0.42) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL19853726 0.82 OPRM1 (0.42) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL19853733 0.77 DPP4 (0.47) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL21034522 0.76 LMNA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-03-30 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

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 DPP4 2195/4885OPRM1 35/4885OPRL1 27/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A DPP4 2195/4885OPRM1 35/4885OPRL1 27/4885

“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.