SCHEMBL1938686

SCHEMBL1938686

CCOC(=O)C(Br)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
PPARA Q07869 3/20 0.46
EPHX2 P34913 2/20 0.46
PPARG P37231 2/20 0.46
ALDH1A1 P00352 2/20 0.44
PDE2A O00408 2/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PPARD Q03181 1/20 0.40
EPHX1 P07099 1/20 0.40
ABCB11 O95342 1/20 0.40

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
SCHEMBL15647495 0.84 POLB (0.55) POLBPPARAEPHX2PPARGALDH1A1
SCHEMBL378939 0.84 ALDH1A1 (0.50) POLBEPHX2ALDH1A1PDE2ASMN1; SMN2
SCHEMBL8849171 0.83 MMP8 (0.43) ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL12175577 0.83 POLB (0.54) POLBPPARAEPHX2PPARGALDH1A1
SCHEMBL12175578 0.82 POLB (0.52) POLBPPARAEPHX2PPARGALDH1A1
SCHEMBL16633352 0.82 POLB (0.52) POLBPPARAEPHX2PPARGALDH1A1
SCHEMBL17634101 0.81 NPSR1 (0.47) POLBEPHX2PPARGALDH1A1MAPT
SCHEMBL6787347 0.81 ALOX15 (0.49) POLBALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL25382619 0.79 POLB (0.50) POLBPPARAEPHX2PPARGALDH1A1
SCHEMBL7470489 0.79 EPHX2 (0.47) EPHX2ALDH1A1PDE2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2676956-A1 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof Purdue Pharma L.P. (US) 2013-12-25 EP disclosed
EP-2331522-B1 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA LP (US) 2013-09-18 EP disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
EP-2331522-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF Purdue Pharma LP (US) 2011-06-15 EP disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 WO disclosed
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 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-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E POLB 4838/4885PPARA 3394/4885EPHX2 1661/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E POLB 4838/4885PPARA 3394/4885EPHX2 1661/4885

“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.