SCHEMBL1863740

SCHEMBL1863740

CCOC(Cc1ccc(NCCCN2CCOc3cc(F)ccc32)cc1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
NPY5R Q15761 2/20 0.34
MAPT P10636 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL12629330 0.95 PPARG (0.37) RORCHPGDTSHRPPARGPPARA
SCHEMBL1857825 0.95 PPARG (0.37) RORCHPGDTSHRPPARGPPARA
SCHEMBL1862780 0.92 PPARA (0.42) RORCPPARGPPARA
SCHEMBL4825023 0.92 PPARA (0.42) RORCPPARGPPARA
SCHEMBL4859010 0.92 PPARG (0.42) RORCPPARGPPARAALDH1A1HTT
SCHEMBL4858998 0.91 RORC (0.37) RORCHPGDTSHRPPARGPPARA
SCHEMBL1865613 0.90 RORC (0.36) RORCHPGDTSHRPPARGPPARA
SCHEMBL14194967 0.90 RORC (0.36) RORCHPGDTSHRPPARGPPARA
SCHEMBL1861829 0.87 TSHR (0.37) RORCHPGDTSHRPPARGPPARA
SCHEMBL4822973 0.87 TSHR (0.37) RORCHPGDTSHRPPARGPPARA

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 12 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 claimed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 US claimed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP claimed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO claimed
US-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds REDDY'S LABORATORIES INC. 2011-05-05 US disclosed
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
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-1436247-A1 NOVEL-BETA-PHENYL-ALPHA-OXYSUBSTITUTED PROPIONIC DERIVATIVES: PROCESS FOR ITS PREPARATION AND THEIR USE IN THE PREPARATION OF PHARMACEUTICALLY IMPORTANT COMPOUNDS Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP 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
WO-2003033456-A1 NOVEL β-PHENYL-α-OXYSUBSTITUTED PROPIONIC DERIVATIVES: PROCESS FOR ITS PREPARATION AND THEIR USE IN THE PREPARATION OF PHARMACEUTICALLY IMPORTANT COMPOUNDS 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 (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-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds PCCA, ADRA1B, ADRA2B RORC 1199/4885HPGD 301/4885TSHR 3841/4885
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 RORC 335/4885HPGD 2178/4885TSHR 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.