SCHEMBL19138278

SCHEMBL19138278

C[C@@H](O)[C@H](NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)[C@@H](NC(=O)O)[C@@H](C)O)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.62
▸ CTSB P07858 3/20 0.62
▸ XIAP P98170 1/20 0.43
▸ ELANE P08246 7/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ GRB2 P62993 1/20 0.39
▸ OPRM1 P35372 1/20 0.39

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
SCHEMBL19138299 1.00 CAPN1 (0.62) CAPN1CTSBXIAPELANESLC6A2
SCHEMBL19138367 1.00 CAPN1 (0.62) CAPN1CTSBXIAPELANESLC6A2
SCHEMBL19138277 1.00 CAPN1 (0.62) CAPN1CTSBXIAPELANESLC6A2
SCHEMBL16695968 0.89 CAPN1 (0.61) CAPN1CTSBXIAPELANESLC6A2
SCHEMBL16696001 0.88 CAPN1 (0.49) CAPN1CTSBSLC6A2
SCHEMBL19138297 0.88 CAPN1 (0.57) CAPN1CTSBXIAPELANESLC6A2
SCHEMBL19138298 0.88 CAPN1 (0.57) CAPN1CTSBXIAPELANESLC6A2
SCHEMBL19138353 0.88 CAPN1 (0.57) CAPN1CTSBXIAPELANESLC6A2
SCHEMBL19138322 0.88 CAPN1 (0.57) CAPN1CTSBXIAPELANESLC6A2
Rapastinel SCHEMBL23753673 0.87 CAPN1 (0.59) CAPN1CTSBXIAPELANESLC6A2

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
EP-3916003-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME Naurex, Inc. (US) 2021-12-01 — — EP disclosed
EP-3171941-B1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2021-03-24 — — EP disclosed
US-20180258139-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2018-09-13 — — US disclosed
US-9994614-B2 N-methyl-D-aspartate receptor modulators and methods of making and using same NAUREX, INC. (US) 2018-06-12 — — US disclosed
US-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2017-07-27 — — 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-20180258139-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME GRIN1, GRIN2A, GRIN3A CAPN1 607/4885CTSB 3811/4885XIAP 1851/4885
US-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME GRIN1, GRIN2A, GRIN3A CAPN1 607/4885CTSB 3811/4885XIAP 1851/4885

“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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