SCHEMBL6561158

SCHEMBL6561158

N=C(N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 3/20 0.44
▸ GRIN2A Q12879 3/20 0.44
▸ CHRNB2 P17787 6/20 0.43
▸ CHRNB4 P30926 6/20 0.43
▸ CHRNA3 P32297 6/20 0.43
▸ CHRNA4 P43681 6/20 0.43
▸ GRM1 Q13255 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ CTSB P07858 2/20 0.38
▸ CTSH P09668 2/20 0.38
▸ CTSK P43235 2/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSF Q9UBX1 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
SCHEMBL6562711 0.99 GRIN1 (0.45) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL17104387 0.99 GRIN1 (0.45) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL7898530 0.88 NPY4R (0.47) SMN1; SMN2
SCHEMBL7897054 0.88 EPHX2 (0.44) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL6562366 0.88 GRIN1 (0.47) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL7898542 0.85 NPY4R (0.47) GRIN1GRIN2ASMN1; SMN2
SCHEMBL19165692 0.85 C3AR1 (0.36) GRIN1GRIN2ASMN1; SMN2EPHX2
SCHEMBL10650846 0.83 MEN1 (0.44) SMN1; SMN2EPHX2
SCHEMBL29421098 0.83 MEN1 (0.44) SMN1; SMN2EPHX2
SCHEMBL10277311 0.82 EPHX2 (0.45) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040062773-A1 Compositions for the delivery of antigens EMISPHERE TECHNOLOGIES INC. 2004-04-01 — — US disclosed
EP-0784469-B1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 2004-03-24 — — EP disclosed
US-6610329-B2 Using acylated amino acid as carrier EMISPHERE TECHNOLOGIES INC. 2003-08-26 — — US disclosed
US-20020001591-A1 Compositions for the delivery of antigens EMISPHERE TECHNOLOGIES, INC. 2002-01-03 — — US disclosed
US-6180140-B1 SUITABLE FOR ORAL ADMINISTRATION OF BIOLOGICALLY ACTIVE AGENTS TO ANIMALS EMISPHERE TECHNOLOGIES, INC. 2001-01-30 — — US disclosed
US-5958457-A MIXTURES OF ANTIGENS WITH ADJUVANTS AND ACYLATED AMINO ACIDS OR SALTS, POLYMERS OR SULFONATED AMINO ACIDS EMISPHERE TECHNOLOGIES, INC. (US) 1999-09-28 — — US disclosed
US-5935601-A Modified amino acids for drug delivery EMISPHERE TECHNOLOGIES, INC. (US) 1999-08-10 — — US disclosed
EP-0812212-A4 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 1999-04-14 — — EP disclosed
EP-0758843-A4 MODIFIED AMINO ACIDS FOR DRUG DELIVERY EMISPHERE TECH INC (US) 1998-05-20 — — EP disclosed
US-5709861-A PEPTIDES WITH ANTIGENS AND PROCESS FOR MIXING EMISPHERE TECHNOLOGIES, INC. (US) 1998-01-20 — — US disclosed
EP-0812212-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS Emisphere Technologies, Inc. (US) 1997-12-17 — — EP disclosed
US-5629020-A Modified amino acids for drug delivery EMISPHERE TECHNOLOGIES, INC. (US) 1997-05-13 — — US disclosed
EP-0758843-A1 MODIFIED AMINO ACIDS FOR DRUG DELIVERY Emisphere Technologies, Inc. (US) 1997-02-26 — — EP disclosed
WO-1996021464-A9 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS — 1996-11-14 — — WO disclosed
WO-1996021464-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECHNOLOGIES, INC. (US) 1996-07-18 — — WO disclosed
WO-1995028838-A1 MODIFIED AMINO ACIDS FOR DRUG DELIVERY EMISPHERE TECHNOLOGIES, INC. (US) 1995-11-02 — — 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-20020001591-A1 Compositions for the delivery of antigens CD47, CD74, LY96 GRIN1 2464/4885GRIN2A 2146/4885CHRNB2 2707/4885
US-20040062773-A1 Compositions for the delivery of antigens CD47, CD74, LY96 GRIN1 2464/4885GRIN2A 2146/4885CHRNB2 2707/4885

“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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