SCHEMBL16695968

SCHEMBL16695968

C[C@@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.61
▸ CTSB P07858 3/20 0.61
▸ XIAP P98170 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ STAT3 P40763 1/20 0.40
▸ CALCRL Q16602 3/20 0.40
▸ GRB2 P62993 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL19138367 0.89 CAPN1 (0.62) CAPN1CTSBXIAPSLC6A2GRB2
SCHEMBL19138278 0.89 CAPN1 (0.62) CAPN1CTSBXIAPSLC6A2GRB2
SCHEMBL19138277 0.89 CAPN1 (0.62) CAPN1CTSBXIAPSLC6A2GRB2
SCHEMBL19138299 0.89 CAPN1 (0.62) CAPN1CTSBXIAPSLC6A2GRB2
Rapastinel SCHEMBL23859841 0.88 CAPN1 (0.59) CAPN1CTSBXIAPSLC6A2GRB2
Rapastinel SCHEMBL23753673 0.88 CAPN1 (0.59) CAPN1CTSBXIAPSLC6A2GRB2
Rapastinel SCHEMBL20814039 0.88 CAPN1 (0.59) CAPN1CTSBXIAPSLC6A2GRB2
Rapastinel SCHEMBL25266713 0.88 CAPN1 (0.59) CAPN1CTSBXIAPSLC6A2GRB2
Rapastinel SCHEMBL20678315 0.88 CAPN1 (0.59) CAPN1CTSBXIAPSLC6A2GRB2
Rapastinel SCHEMBL21549060 0.88 CAPN1 (0.59) CAPN1CTSBXIAPSLC6A2GRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590167-B2 NMDA receptor modulators and prodrugs, salts, and uses thereof NAUREX, INC. (US) 2020-03-17 — — US disclosed
US-20180127466-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX INC (US) 2018-05-10 — — US disclosed
US-9745342-B2 NMDA receptor modulators and prodrugs, salts, and uses thereof NAUREX, INC. (US) 2017-08-29 — — US disclosed
US-20160244485-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX INC (US) 2016-08-25 — — US disclosed
WO-2015065891-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX, INC. (US) 2015-05-07 — — 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 (3 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-10590167-B2 NMDA receptor modulators and prodrugs, salts, and uses thereof GRIN1, GRIN3A, GRIN2A CAPN1 519/4885CTSB 3295/4885XIAP 3194/4885
US-20180127466-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF GRIN1, GRIN3A, GRIN2A CAPN1 519/4885CTSB 3295/4885XIAP 3194/4885
US-20160244485-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF GRIN1, GRIN2A, GRIN3A CAPN1 197/4885CTSB 4360/4885XIAP 3307/4885

“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.

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