SCHEMBL18787566

SCHEMBL18787566

CCCCCCCC(=O)Oc1ccc(C[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)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)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)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=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)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.61
▸ GHSR Q92847 4/20 0.58
▸ NPY2R P49146 7/20 0.58
▸ NPY4R P50391 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY1R P25929 5/20 0.58
▸ TFPI P10646 2/20 0.56
▸ RAMP3 O60896 3/20 0.55
▸ CALCR P30988 3/20 0.55
▸ GLP1R P43220 1/20 0.54
▸ GCGR P47871 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
SCHEMBL29403150 0.94 GHSR (0.66) APLNRGHSRNPY2RNPY4RNPY5R
SCHEMBL29525147 0.92 APLNR (0.63) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29526390 0.90 APLNR (0.64) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL5498547 0.90 APLNR (0.60) APLNRGHSRNPY2RNPY4RNPY5R
SCHEMBL30166497 0.90 APLNR (0.62) APLNRGHSRNPY2RNPY4RNPY5R
SCHEMBL29525492 0.90 APLNR (0.64) APLNRGHSRTFPI
SCHEMBL29526046 0.89 APLNR (0.64) APLNRGHSRNPY2RNPY4RNPY5R
SCHEMBL29525577 0.89 APLNR (0.64) APLNRGHSRNPY2RNPY4RNPY5R
SCHEMBL31656374 0.87 TFPI (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL16150700 0.86 APLNR (0.64) 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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 308/4885GHSR 3/4885NPY2R 10/4885
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY FABP7, PYGB, ATP6V1B2 APLNR 528/4885GHSR 47/4885NPY2R 39/4885
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS HTT, SNCA, NLN APLNR 413/4885GHSR 64/4885NPY2R 90/4885
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION CRH, PYGB, CHAT APLNR 904/4885GHSR 10/4885NPY2R 111/4885
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY ATP6V1B2, GHSR, CRH APLNR 507/4885GHSR 2/4885NPY2R 10/4885

“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.

Send feedback