SCHEMBL3054776

SCHEMBL3054776

CC(O)C(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL2115037 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL762984 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL738198 0.84 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL13324885 0.83 MEN1 (0.41) CYP3A4KMT2AALDH1A1MEN1TP53
SCHEMBL8487300 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL824919 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL828715 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL5486914 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL5778346 0.82 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL13912231 0.82 SMN1; SMN2 (0.58) SMN1; SMN2PKMCYP3A4CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015150947-A1 A PROCESS FOR THE PREPARATION OF ISAVUCONAZOLE AND ITS INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-10-08 WO claimed
WO-2015020967-A1 NBPT SOLUTIONS FOR PREPARING UREASE INHIBITED UREA FERTILIZERS PREPARED FROM N-SUBSTITUTED MORPHOLINES WEYERHAEUSER NR COMPANY (US) 2015-02-12 WO claimed
US-8888886-B1 NBPT solutions for preparing urease inhibited urea fertilizers prepared from N-substituted morpholines WHITEHURST ASSOCIATES, INC. 2014-11-18 US claimed
JP-2007505874-A 2007-03-15 JP claimed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP claimed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO claimed
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US disclosed
EP-3212628-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2017-09-06 EP disclosed
US-9617241-B2 Intermediate compounds and process for the preparation of efinaconazole MAPI PHARMA LTD. (IL) 2017-04-11 US disclosed
US-9617241-B2 Intermediate compounds and process for the preparation of efinaconazole MAPI PHARMA LTD. (IL) 2017-04-11 US disclosed
US-20160355500-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF EFINACONAZOLE MAPI PHARMA LTD. (IL) 2016-12-08 US disclosed
US-20160355500-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF EFINACONAZOLE MAPI PHARMA LTD. (IL) 2016-12-08 US disclosed
WO-2016069370-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-05-06 WO disclosed
EP-0802904-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 1998-09-09 EP disclosed
EP-0809640-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-03 EP disclosed
EP-0802904-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed
US-5677464-A Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
WO-1996025410-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-22 WO disclosed
WO-1996021647-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed
EP-0687672-A2 Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-20 EP 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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 SMN1; SMN2 1902/4885PKM 2508/4885CYP3A4 42/4885
US-20160355500-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF EFINACONAZOLE CYP2E1, CYP3A4, CYP4B1 SMN1; SMN2 3486/4885PKM 1786/4885CYP3A4 2/4885

“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.