SCHEMBL4826323

SCHEMBL4826323

CCOC(Cc1ccc(NCCCN2CCOc3ccccc32)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
PPARA Q07869 2/20 0.37
TSHR P16473 4/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPY4R P50391 4/20 0.32
NPY1R P25929 3/20 0.32
CACNA1B Q00975 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
TACR2 P21452 2/20 0.31
NPY2R P49146 2/20 0.31
NPY5R Q15761 2/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL4824348 0.97 PPARG (0.38) PPARGPPARATSHRHPGDMAPT
SCHEMBL4824935 0.93 TSHR (0.34) PPARGPPARATSHRHPGDMAPT
SCHEMBL4823696 0.91 NPY4R (0.32) TSHRHPGDNPY4RNPY1RNPY2R
SCHEMBL4825272 0.91 NPY4R (0.32) TSHRHPGDNPY4RNPY1RNPY2R
Arginine SCHEMBL4826312 0.91 PPARG (0.44) PPARGPPARATSHRHPGDCACNA1B
Arginine SCHEMBL4826319 0.91 PPARG (0.44) PPARGPPARATSHRHPGDCACNA1B
SCHEMBL4867157 0.91 PPARG (0.45) PPARGPPARATSHRHPGDMAPT
SCHEMBL4822383 0.90 PPARG (0.43) PPARGPPARATSHRMAPTLMNA
SCHEMBL4820171 0.89 RAB9A (0.40) PPARGPPARAMAPTLMNARXFP1
SCHEMBL5663604 0.88 PPARG (0.38) PPARGPPARAMAPTLMNANPY4R

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 PPARG 86/4885PPARA 113/4885TSHR 1645/4885

“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.