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SCHEMBL5498547

SCHEMBL5498547

CCCCCCCC(=O)c1ccccc1C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.60
▸ NPY2R P49146 8/20 0.55
▸ NPY4R P50391 8/20 0.55
▸ NPY5R Q15761 8/20 0.55
▸ NPY1R P25929 6/20 0.55
▸ GHSR Q92847 3/20 0.55
▸ TFPI P10646 2/20 0.55
▸ GLP1R P43220 3/20 0.54
▸ GCGR P47871 3/20 0.54
▸ C5AR1 P21730 1/20 0.54

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
SCHEMBL18049882 0.92 APLNR (0.62) APLNRGHSRC5AR1
SCHEMBL29525147 0.92 APLNR (0.63) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29403150 0.91 GHSR (0.66) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL18787566 0.90 APLNR (0.61) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29526390 0.90 APLNR (0.64) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30166497 0.90 APLNR (0.62) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29525492 0.89 APLNR (0.64) APLNRGHSRTFPI
SCHEMBL29526046 0.89 APLNR (0.64) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29525577 0.89 APLNR (0.64) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL6955243 0.88 F2 (0.55) APLNRGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2020-08-20 — — US disclosed
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2018-03-15 — — US disclosed
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-10-05 — — US disclosed
US-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-09-21 — — US disclosed
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 — — US disclosed
US-7297681-B2 Growth hormone secretagogues ÆTERNA ZENTARIS GMBH (DE) 2007-11-20 — — US disclosed
EP-1289951-B1 GROWTH HORMONE SECRETAGOGUES ZENTARIS GMBH (DE) 2005-08-17 — — EP disclosed
EP-1524272-A1 Growth hormone secretagogues Zentaris GmbH (DE) 2005-04-20 — — EP disclosed
US-6861409-B2 Growth hormone secretagogues ZENTARIS AG (DE) 2005-03-01 — — US disclosed
US-20040229823-A1 Growth hormone secretagogues ZENTARIS AG 2004-11-18 — — US disclosed
US-20020165343-A1 Growth hormone secretagogues AETERNA ZENTARIS GMBH (DE) 2002-11-07 — — 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 (7 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-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY ATP6V1B2, FABP7, GHSR APLNR 308/4885NPY2R 10/4885NPY4R 9/4885
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY FABP7, PYGB, ATP6V1B2 APLNR 528/4885NPY2R 39/4885NPY4R 52/4885
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS HTT, SNCA, NLN APLNR 413/4885NPY2R 90/4885NPY4R 65/4885
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION CRH, PYGB, CHAT APLNR 904/4885NPY2R 111/4885NPY4R 122/4885
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY ATP6V1B2, GHSR, CRH APLNR 507/4885NPY2R 10/4885NPY4R 11/4885
US-20020165343-A1 Growth hormone secretagogues GHSR, GHRHR, IGFBP1 APLNR 578/4885NPY2R 110/4885NPY4R 118/4885
US-20040229823-A1 Growth hormone secretagogues GHSR, GHRHR, IGFBP1 APLNR 560/4885NPY2R 104/4885NPY4R 115/4885

“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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