SCHEMBL7250197

SCHEMBL7250197

CCOC(=O)/C(=C/c1ccc(OCCN2COc3ccccc3C2=O)cc1)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
MAOB P27338 12/20 0.39
ACHE P22303 6/20 0.38
MAOA P21397 6/20 0.38
BCHE P06276 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL7250201 1.00 NR1H4 (0.40) NR1H4MAOBACHEMAOABCHE
SCHEMBL27544993 0.93 MAOB (0.40) NR1H4MAOBACHEMAOABCHE
SCHEMBL7248809 0.83 MAOB (0.41) MAOBACHEMAOABCHEMAPT
SCHEMBL7248813 0.83 MAOB (0.41) MAOBACHEMAOABCHEMAPT
SCHEMBL14265693 0.80 MAPT (0.46) NR1H4NPSR1ALDH1A1MAPTTHRB
SCHEMBL6949825 0.80 ACHE (0.45) MAOBACHEMAOABCHENPSR1
SCHEMBL14265701 0.78 MEN1 (0.52) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL7248494 0.77 PPARG (0.52)
Hydrochloric Acid SCHEMBL6944979 0.77 PPARG (0.41) NPSR1HPGD
SCHEMBL7251593 0.77 PPARA (0.55) NR1H4NPSR1HPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR INC. 2001-10-04 US claimed
EP-1124807-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP claimed
WO-1999016758-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-08 WO claimed
US-6664411-B2 Beta-aryl/alpha-oxysubstituted alkylcarboxylic acids of 4-oxo-or thiocarbonylchromenes or thiochromenes; antiobesity, -cholesterol - diabetic agents; agonists of peroxisome proliferator activated receptors; kidney disorders DR. REDDY'S LABORATORIES LIMITED (IN) 2003-12-16 US disclosed
US-6331627-B1 Intermediates of benzoxazinone derivatives and preparation thereof REDDY'S LABORATORIES LTD. (IN) 2001-12-18 US disclosed
US-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR INC. 2001-10-04 US disclosed
EP-1124807-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP disclosed
US-6130214-A Benzothiazin and benzoxazin derivatives; their preparation and uses DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-10-10 US disclosed
WO-1999016758-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-08 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-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CYP11B1, CYP46A1, CYP51A1 NR1H4 58/4885MAOB 870/4885ACHE 3693/4885

“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.