SCHEMBL542664

SCHEMBL542664

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.52
▸ ATXN2 Q99700 3/20 0.52
▸ MMP12 P39900 2/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ ME2 P23368 1/20 0.45
▸ ME1 P48163 1/20 0.45
▸ ME3 Q16798 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TACR1 P25103 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SCN7A Q01118 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ CYP2C19 P33261 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 SCHEMBL4681490 0.99 ENPP2 (0.51) ENPP2ATXN2MMP12MMP1ME2
SCHEMBL542677 0.87 MEN1 (0.53) ENPP2ATXN2MMP12MMP1MEN1
SCHEMBL4677683 0.86 HPGD (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL543034 0.86 TACR1 (0.47) ENPP2ATXN2TACR1
SCHEMBL543231 0.86 MEN1 (0.55) ENPP2ATXN2MMP12MMP1MEN1
Hydrochloric Acid SCHEMBL4678022 0.85 HPGD (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL543007 0.84 MEN1 (0.54) ENPP2ATXN2MMP12MMP1MEN1
SCHEMBL4678826 0.84 GRIN2B (0.52) MMP12MMP1MEN1KMT2ANPSR1
SCHEMBL27694192 0.84 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL543243 0.84 ENPP2 (0.53) ENPP2ATXN2MEN1KMT2ANPSR1

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 18 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
CN-113072546-A Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 — — CN disclosed
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 3603/4885MMP12 3197/4885
US-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 ENPP2 4317/4885ATXN2 2847/4885MMP12 3758/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 ENPP2 4317/4885ATXN2 2847/4885MMP12 3758/4885

“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.

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