SCHEMBL4823696

SCHEMBL4823696

CCOC(Cc1ccc(NCCCN2CCOc3cc(F)ccc32)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 4/20 0.32
NPY1R P25929 3/20 0.32
NPY2R P49146 2/20 0.32
NPY5R Q15761 2/20 0.32
RORC P51449 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL4825272 1.00 NPY4R (0.32) NPY4RNPY1RNPY2RNPY5RRORC
Arginine SCHEMBL4823686 0.91 PPARG (0.35) RORC
Arginine SCHEMBL4825267 0.91 PPARG (0.35) RORC
Arginine SCHEMBL4823692 0.91 PPARG (0.35) RORC
SCHEMBL4826323 0.91 PPARG (0.37) NPY4RNPY1RNPY2RNPY5RRORC
SCHEMBL4824348 0.88 PPARG (0.38) NPY4RNPY1RNPY2RNPY5RRORC
SCHEMBL4824935 0.85 TSHR (0.34) RORCHPGDTSHR
SCHEMBL1857825 0.84 PPARG (0.37) NPY5RRORCHPGDTSHR
SCHEMBL12629330 0.84 PPARG (0.37) NPY5RRORCHPGDTSHR
SCHEMBL1863740 0.84 RORC (0.36) NPY5RRORCHPGDTSHRNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 US disclosed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 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 (1 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-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 NPY4R 219/4885NPY1R 410/4885NPY2R 529/4885

“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.