SCHEMBL1839980

SCHEMBL1839980

COc1ccc2ccc(F)c(CC(CO)CNC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
MTNR1A P48039 10/20 0.38
MTNR1B P49286 10/20 0.38
HTR2C P28335 3/20 0.34
SCN9A Q15858 2/20 0.34
CYP3A4 P08684 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL3404636 1.00 PTGS2 (0.42) PTGS2MTNR1AMTNR1BHTR2CSCN9A
SCHEMBL3410802 0.87 PTGS2 (0.39) PTGS2MTNR1AMTNR1BSCN9ACYP3A4
SCHEMBL1839708 0.87 KCNH2 (0.38)
SCHEMBL3408951 0.83 PTGS2 (0.40) PTGS2MTNR1AMTNR1BHTR2CPCSK9
SCHEMBL1840716 0.83 PTGS2 (0.40) PTGS2MTNR1AMTNR1BHTR2CPCSK9
SCHEMBL1711953 0.82 MTNR1A (0.39) PTGS2MTNR1AMTNR1BHTR2CSCN9A
SCHEMBL3431599 0.81 PTGS2 (0.43) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL29845387 0.81 MTNR1A (0.52) PTGS2MTNR1AMTNR1B
SCHEMBL27834858 0.80 PTGS2 (0.40) PTGS2MTNR1AMTNR1BHTR2CPCSK9
SCHEMBL1712060 0.79 MTNR1A (0.40) PTGS2MTNR1AMTNR1BHTR2CSCN9A

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-8466168-B2 Tricyclic alkylaminomethyloxazolidinone derivatives Actellon Pharmaceuticals Ltd. (CH) 2013-06-18 US disclosed
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. 2011-06-09 US disclosed
EP-2321307-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-05-18 EP disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2010015985-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-11 WO disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 PTGS2 3245/4885MTNR1A 331/4885MTNR1B 1000/4885
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES PYM1, Q6ZSR9, O60361 PTGS2 2436/4885MTNR1A 438/4885MTNR1B 431/4885

“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.