SCHEMBL543243

SCHEMBL543243

O=C(OCc1ccc(OC(F)(F)F)cc1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.53
ATXN2 Q99700 5/20 0.53
DGAT2 Q96PD7 1/20 0.52
HRH3 Q9Y5N1 2/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
CA2 P00918 2/20 0.46
P2RY1 P47900 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR2C P28335 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PANK3 Q9H999 1/20 0.42
SLC29A1 Q99808 1/20 0.42
CHRM4 P08173 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
Hydrochloric Acid SCHEMBL4681689 0.99 ENPP2 (0.53) ENPP2ATXN2DGAT2HRH3HRH2
SCHEMBL542704 0.86 EPHX2 (0.56) ENPP2ATXN2DGAT2HRH3HRH2
SCHEMBL543253 0.85 FNTA (0.54) ENPP2DGAT2SMN1; SMN2HTR2CMEN1
SCHEMBL5537423 0.84 ENPP2 (0.53) ENPP2ATXN2DGAT2HRH3HRH2
SCHEMBL15540071 0.84 ENPP2 (0.61) ENPP2ATXN2DGAT2CA2P2RY1
SCHEMBL542664 0.84 ENPP2 (0.52) ENPP2ATXN2HRH3SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4681490 0.83 ENPP2 (0.51) ENPP2ATXN2HRH3SMN1; SMN2MEN1
SCHEMBL3037782 0.82 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL23628476 0.82 ENPP2 (0.50) ENPP2ATXN2DGAT2HRH3HRH2
SCHEMBL4678739 0.82 P2RX7 (0.55) ENPP2ATXN2DGAT2HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP claimed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO disclosed
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1277824-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-10-04 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
CN-1533382-A Piperazine derivatives - 2004-09-29 CN disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ENPP2 2915/4885ATXN2 3603/4885DGAT2 1966/4885
US-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 ENPP2 4317/4885ATXN2 2847/4885DGAT2 3308/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 ENPP2 4317/4885ATXN2 2847/4885DGAT2 3308/4885

“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.