SCHEMBL1863406

SCHEMBL1863406

CCOC(=O)C(Cc1ccc(NCCCN2CC(C)Oc3cc(F)ccc32)cc1)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
THRB P10828 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
GRM2 Q14416 3/20 0.32
HTR2A P28223 1/20 0.32
CREBBP Q92793 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DGAT1 O75907 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.30
PPARG P37231 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
SCHEMBL14194987 1.00 MAPT (0.36) MAPTTHRBLMNATP53GRM2
SCHEMBL1855249 0.97 MAPT (0.35) MAPTTHRBLMNATP53GRM2
SCHEMBL1864970 0.94 MAPT (0.36) MAPTTHRBLMNATP53GRM2
SCHEMBL1859041 0.91 PTPRF (0.36) MAPTTHRBLMNATP53GRM2
SCHEMBL4825154 0.91 PTPRF (0.36) MAPTTHRBLMNATP53GRM2
SCHEMBL4820701 0.90 PTPRF (0.35) MAPTTHRBLMNATP53GRM2
SCHEMBL1863184 0.90 MAPT (0.38) MAPTTHRBLMNATP53PPARG
SCHEMBL14194982 0.90 MAPT (0.38) MAPTTHRBLMNATP53PPARG
SCHEMBL4820708 0.89 GRM2 (0.33) MAPTTHRBLMNATP53GRM2
SCHEMBL4819031 0.88 PPARA (0.40) PPARG

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-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-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 MAPT 1308/4885THRB 879/4885LMNA 2490/4885
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 MAPT 566/4885THRB 462/4885LMNA 1046/4885

“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.