SCHEMBL2816739

SCHEMBL2816739

C=C(C)C(=O)c1ccc(C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.68
CES1 P23141 3/20 0.68
MAPT P10636 2/20 0.61
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
NLRP1 Q9C000 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL28670034 0.90 MAPT (0.71) CES2CES1MAPTLMNASMN1; SMN2
SCHEMBL13043540 0.83 CES2 (0.71) CES2CES1MAPTALDH1A1LMNA
SCHEMBL167254 0.82 CES2 (1.00) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL2401025 0.81 MAPT (0.61) CES2CES1MAPTALDH1A1SMN1; SMN2
SCHEMBL18998428 0.81 CES2 (0.68) CES2CES1MAPTALDH1A1LMNA
SCHEMBL5852775 0.81 MAPT (0.61) CES2CES1MAPTLMNATHRA
SCHEMBL6272776 0.81 MAPT (0.61) CES2CES1MAPTLMNASMN1; SMN2
SCHEMBL5949776 0.80 CES2 (0.75) CES2CES1MAPTALDH1A1LMNA
SCHEMBL3629096 0.80 CES2 (0.75) CES2CES1MAPTALDH1A1LMNA
SCHEMBL23190953 0.79 MAPT (0.59) CES2CES1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390754-A1 METHODS OF ADMINISTERING TOLPERISONE NEURANA PHARMACEUTICALS, INC. 2020-12-17 US claimed
CN-111886007-A Methods of administering tolperisone 纽兰娜制药股份有限公司 2020-11-03 CN claimed
EP-3709989-A1 METHODS OF ADMINISTERING TOLPERISONE Neurana Pharmaceuticals, Inc. (US) 2020-09-23 EP claimed
US-20180344717-A1 COMPOSITIONS OF TOLPERISONE Sanochemia Pharmazeutika GmbH (AT) 2018-12-06 US claimed
US-20170239228-A1 COMPOSITIONS OF TOLPERISONE Sanochemia Pharmazeutika GmbH (AT) 2017-08-24 US claimed
US-9675598-B2 Compositions of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2017-06-13 US claimed
US-9662317-B2 Methods of administering tolperisone for therapeutic purposes SANOCHEMIA PHARMAZEUTIKA AG (AT) 2017-05-30 US claimed
US-20160367540-A1 COMPOSITIONS OF TOLPERISONE SANOCHEMIA PHARMAZEUTIKA AG (AT) 2016-12-22 US claimed
US-20160220549-A1 METHODS OF ADMINISTERING TOLPERISONE FOR THERAPEUTIC PURPOSES SANOCHEMIA PHARMAZEUTIKA AG (AT) 2016-08-04 US claimed
EP-2150540-B1 METHOD FOR THE PRODUCTION OF HIGHLY PURE 2,4'-DIMETHYL-3-PIPERIDINO-PROPIOPHENONE (TOLPERISONE), PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND AGENT FORMULATIONS CONTAINING TOLPERISONE SANOCHEMIA PHARMAZEUTIKA AG (AT) 2016-06-01 EP claimed
US-9315480-B2 Compositions of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AU) 2016-04-19 US claimed
US-8785100-B2 Two-component developer KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-07-22 US claimed
US-20130189612-A1 TWO-COMPONENT DEVELOPER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-07-25 US claimed
US-20100150995-A1 PROCESS FOR THE PRODUCTION OF HIGH-PURITY 2,4'-DIMETHYL-3-PIPERIDINO-PROPIOPHENONE (TOLPERISONE), PHARMACEUTICAL COMPOSITIONS THAT CONTAIN THE LATTER, AS WELL AS ACTIVE INGREDIENT FORMULATIONS THAT CONTAIN TOLPERISONE SANOCHEMIA PHARMAZEUTIKA AG (AT) 2010-06-17 US claimed
JP-54044627-A None JP disclosed
JP-54128539-A None JP disclosed
CN-110845443-B Method for preparing high-purity tolperisone hydrochloride 嘉实(湖南)医药科技有限公司 2023-09-05 CN disclosed
JP-S54128539-A PREPARATION OF ACRYLOPHENONE DERIVATIVE ASAHI CHEM IND CO LTD 1979-10-05 JP disclosed
JP-S5444627-A PRODUCTION OF ACRYLIC ACID DERIVATIVE ASAHI CHEM IND CO LTD 1979-04-09 JP disclosed
US-4013620-A OXIDATION RESISTANCE AMERICAN CYANAMID COMPANY (US) 1977-03-22 US 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-20200390754-A1 METHODS OF ADMINISTERING TOLPERISONE ACHE, THOP1, CHAT CES2 588/4885CES1 216/4885MAPT 868/4885
US-20100150995-A1 PROCESS FOR THE PRODUCTION OF HIGH-PURITY 2,4'-DIMETHYL-3-PIPERIDINO-PROPIOPHENONE (TOLPERISONE), PHARMACEUTICAL COMPOSITIONS THAT CONTAIN THE LATTER, AS WELL AS ACTIVE INGREDIENT FORMULATIONS THAT CONTAIN TOLPERISONE MMP17, MMP25, MMP1 CES2 913/4885CES1 633/4885MAPT 175/4885
US-20160220549-A1 METHODS OF ADMINISTERING TOLPERISONE FOR THERAPEUTIC PURPOSES THOP1, ADAMTS4, ADAMTS5 CES2 63/4885CES1 452/4885MAPT 2978/4885
US-20170239228-A1 COMPOSITIONS OF TOLPERISONE ADAMTS4, ADAMTS1, ADAMTS5 CES2 681/4885CES1 484/4885MAPT 1586/4885
US-20160367540-A1 COMPOSITIONS OF TOLPERISONE ADAMTS4, ADAMTS1, ADAMTS5 CES2 681/4885CES1 484/4885MAPT 1586/4885
US-20180344717-A1 COMPOSITIONS OF TOLPERISONE ADAMTS4, ADAMTS1, ADAMTS5 CES2 681/4885CES1 484/4885MAPT 1586/4885

“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.