Sugi Predict

Sugi Predict / Compounds / SCHEMBL2557016

SCHEMBL2557016

SCHEMBL2557016

O=C1CCC(=O)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 1/20 0.58
▸ PARL Q9H300 1/20 0.56
▸ MAPT P10636 5/20 0.54
▸ POLB P06746 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CA2 P00918 1/20 0.52
▸ APEX1 P27695 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SIRT6 Q8N6T7 2/20 0.49

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
SCHEMBL7549606 0.92 MAPT (0.58) SCN2APARLMAPTPOLBMEN1
SCHEMBL6140639 0.92 MAPT (0.62) SCN2APARLMAPTPOLBMEN1
SCHEMBL6140490 0.82 POLB (0.57) SCN2AMAPTPOLBMEN1KMT2A
SCHEMBL10643664 0.81 SCN2A (0.54) SCN2APARLMAPTPOLBMEN1
SCHEMBL11478927 0.80 CA12 (0.67) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL10854270 0.78 HPN (0.68) SCN2AMAPTPOLBMEN1KMT2A
SCHEMBL854781 0.78 SIRT6 (0.51) SCN2APARLMAPTPOLBMEN1
SCHEMBL2859550 0.78 PKM (0.80) SCN2AMAPTALDH1A1GAAPKM
SCHEMBL11183530 0.77 MAPT (0.53) SCN2APARLMAPTPOLBMEN1
SCHEMBL25570066 0.76 SCN2A (0.58) SCN2AMAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 — — US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 — — US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 — — US disclosed
US-11607407-B2 Dermal pharmaceutical compositions of 1-methyl-2′,6′-pipecoloxylidide and method of use RELMADA THERAPEUTICS, INC. (US) 2023-03-21 — — US disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 — — US disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 — — US disclosed
CN-113302186-A Nitration 瑞士苏黎世联邦理工学院 2021-08-24 — — CN disclosed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 — — EP disclosed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 — — EP disclosed
CN-107115326-B Skin pharmaceutical composition of 1-methyl-N- (2, 6-xylyl) -2-piperidine formamide and using method thereof 雷尔玛达治疗股份有限公司 2021-01-22 — — CN disclosed
EP-2557924-A1 DERMAL PHARMACEUTICAL COMPOSITIONS OF 1-METHYL-2',6'-PIPECOLOXYLIDIDE AND METHOD OF USE Relmada Therapeutics, Inc. (US) 2013-02-20 — — EP disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 — — US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 — — US disclosed
WO-2011130455-A1 DERMAL PHARMACEUTICAL COMPOSITIONS OF 1-METHYL-2',6'-PIPECOLOXYLIDIDE AND METHOD OF USE BABUL NAJIB (US) 2011-10-20 — — WO disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — US disclosed
US-20050182260-A1 Process for the preparation of cyclic imides in the presence of polyphosphoric acid MERCK PATENT GMBH (DE) 2005-08-18 — — US disclosed
EP-1506173-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GmbH (DE) 2005-02-16 — — EP disclosed
WO-2003097600-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GMBH (DE) 2003-11-27 — — WO disclosed
EP-0328026-B1 SUBSTITUTED PYRROLES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 — — EP disclosed
EP-0328026-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1989-08-16 — — 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 (6 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-11607407-B2 Dermal pharmaceutical compositions of 1-methyl-2′,6′-pipecoloxylidide and method of use PIP4K2C, PIP5K1C, PIP4K2A SCN2A 3507/4885PARL 2015/4885MAPT 2773/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SCN2A 632/4885PARL 4270/4885MAPT 4269/4885
US-20220009875-A1 NITRATION NOS1, NOS2, NOS3 SCN2A 678/4885PARL 4201/4885MAPT 3137/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN2A 632/4885PARL 4270/4885MAPT 4269/4885
US-20050182260-A1 Process for the preparation of cyclic imides in the presence of polyphosphoric acid PPIP5K2, ITPA, IPMK SCN2A 3613/4885PARL 3739/4885MAPT 4330/4885
US-11655203-B2 Nitration NOS1, NOS2, NOS3 SCN2A 678/4885PARL 4201/4885MAPT 3137/4885

“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.