SCHEMBL118361

SCHEMBL118361

O=C(Cl)COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
AOC3 Q16853 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TLR7 Q9NYK1 1/20 0.42
GRM4 Q14833 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL2117441 0.84 ALOX15 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL656941 0.83 ALOX15 (0.59) MAOBAOC3ALDH1A1CYP1A2CYP2C19
SCHEMBL12611856 0.81 ALDH1A1 (0.63) MAOBAOC3ALDH1A1HRH3SMN1; SMN2
SCHEMBL12824120 0.81 ALDH1A1 (0.54) MAOBAOC3ALDH1A1CYP1A2CYP2C19
SCHEMBL2171542 0.81 MAOB (0.57) MAOBAOC3ALDH1A1CYP1A2CYP2C19
SCHEMBL9279028 0.79 ALDH1A1 (0.51) MAOBAOC3ALDH1A1CYP1A2CYP2C19
SCHEMBL13279565 0.79 MEN1 (0.63) MAOBAOC3ALDH1A1CYP1A2CYP2C19
SCHEMBL1619089 0.79 NPC1 (0.53) MAOBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1462002 0.78 NLRP3 (0.50) ALDH1A1EPHX2HRH3MEN1KMT2A
SCHEMBL24112748 0.77 ALDH1A1 (0.60) MAOBAOC3ALDH1A1CYP1A2CYP2C19

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 US disclosed
EP-2626072-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-14 EP disclosed
EP-2623491-A2 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP disclosed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 WO disclosed
EP-1984369-A2 NITROIMIDAZOLE COMPOUNDS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2008107677-A2 THIADIAZOLE AND OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SENEXIS LIMITED (GB) 2008-09-12 WO disclosed
WO-2007075872-A2 NITROIMIDAZOLE COMPOUNDS NOVARTIS AG (CH) 2007-07-05 WO disclosed
WO-2007028022-A2 NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-03-08 WO disclosed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
US-20060111357-A1 Quinoline compounds for use in mch receptor related disorders 7TM PHARMA A/S (DK) 2006-05-25 US disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 WO disclosed
EP-1572212-A2 QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM Pharma A/S (DK) 2005-09-14 EP disclosed
WO-2004052370-A2 QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2004-06-24 WO disclosed
WO-2004052371-A2 CYCLIC QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2004-06-24 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-20060111357-A1 Quinoline compounds for use in mch receptor related disorders MCHR2, MCHR1, MC1R MAOB 549/4885AOC3 2687/4885ALDH1A1 3604/4885
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E MAOB 1145/4885AOC3 2299/4885ALDH1A1 2635/4885

“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.