SCHEMBL3413101

SCHEMBL3413101

CCOC(=O)C1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 3/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 2/20 0.52
MEN1 O00255 2/20 0.48
GPR119 Q8TDV5 2/20 0.48
EPHX2 P34913 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LGALS1 P09382 1/20 0.46

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
SCHEMBL3413302 1.00 MAPT (0.64) MAPTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3413719 1.00 MAPT (0.64) MAPTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL12056319 0.84 EPHX2 (0.49) MAPTKMT2AALDH1A1GAAPOLB
SCHEMBL12056320 0.83 EPHX2 (0.51) MAPTKMT2AGAAPOLBMAPK1
SCHEMBL1399585 0.83 MAPT (0.52) MAPTKMT2AALDH1A1GAAPOLB
SCHEMBL18703105 0.83 MAPT (0.51) MAPTKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3412798 0.82 POLB (0.53) KMT2AALDH1A1GAASMN1; SMN2POLB
SCHEMBL3542997 0.82 POLB (0.53) KMT2AALDH1A1GAASMN1; SMN2POLB
SCHEMBL3412804 0.82 POLB (0.53) KMT2AALDH1A1GAASMN1; SMN2POLB
SCHEMBL3933617 0.82 EPHX2 (0.52) KMT2AGAAMEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084478-B2 Substituted 5- phenylamino- 1, 3, 4-oxadiazol-2-ylcarbonylamino-4-phenoxy-cyclohexane carboxylic acid as inhibitors of acetyl coenzyme A diacylglycerol acyltransferase ASSTRAZENECA AB (SE) 2011-12-27 US disclosed
EP-2041100-B1 SUBSTITUTED 5- PHENYLAMINO- 1, 3, 4-OXADIAZ0L-2-YLCARBONYLAMINO-4-PHENOXY-CYCLOHEXANE CARBOXYLIC ACID AS INHIBITORS OF ACETYL COENZYME A DIACYLGLYCEROL ACYLTRANSFERASE ASTRAZENECA AB (SE) 2010-12-22 EP disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20090275620-A1 SUBSTITUTED 5- PHENYLAMINO- 1, 3, 4-OXADIAZOL-2-YLCARBONYLAMINO-4-PHENOXY-CYCLOHEXANE CARBOXYLIC ACID AS INHIBITORS OF ACETYL COENZYME A DIACYLGLYCEROL ACYLTRANSFERASE ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 MAPT 2115/4885KMT2A 1509/4885ALDH1A1 314/4885
US-20090275620-A1 SUBSTITUTED 5- PHENYLAMINO- 1, 3, 4-OXADIAZOL-2-YLCARBONYLAMINO-4-PHENOXY-CYCLOHEXANE CARBOXYLIC ACID AS INHIBITORS OF ACETYL COENZYME A DIACYLGLYCEROL ACYLTRANSFERASE ACAT2, ACAT1, DGAT1 MAPT 3051/4885KMT2A 826/4885ALDH1A1 201/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 MAPT 1986/4885KMT2A 1490/4885ALDH1A1 303/4885

“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.