SCHEMBL2815007

SCHEMBL2815007

CC(C=O)=Cc1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
TSHR P16473 1/20 0.65
CYP2A6 P11509 1/20 0.52
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.49
PTGS2 P35354 1/20 0.42
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
NLRP1 Q9C000 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
NTSR1 P30989 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2940976 1.00 ALDH1A1 (0.65) ALDH1A1TSHRCYP2A6MAPTRAB9A
SCHEMBL31380601 0.90 ALDH1A1 (0.53) ALDH1A1TSHRCYP2A6MAPTRAB9A
SCHEMBL31380626 0.90 ALDH1A1 (0.53) ALDH1A1TSHRCYP2A6MAPTRAB9A
SCHEMBL31380620 0.90 ALDH1A1 (0.53) ALDH1A1TSHRCYP2A6MAPTRAB9A
SCHEMBL31380590 0.90 ALDH1A1 (0.53) ALDH1A1TSHRCYP2A6MAPTRAB9A
SCHEMBL30297379 0.83 MAPT (0.58) ALDH1A1TSHRCYP2A6MAPTRAB9A
SCHEMBL30297389 0.83 MAPT (0.58) ALDH1A1TSHRCYP2A6MAPTRAB9A
SCHEMBL28141273 0.82 ALDH1A1 (0.65) ALDH1A1TSHRMAPTPTGS2PKM
SCHEMBL31380594 0.81 MAPT (0.49) ALDH1A1TSHRCYP2A6MAPTRAB9A
SCHEMBL13726421 0.81 MAPT (0.49) ALDH1A1TSHRCYP2A6MAPTRAB9A

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 78 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-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
EP-2150540-A2 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) 2010-02-10 EP claimed
WO-2008131469-A2 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) 2008-11-06 WO claimed
CN-112154193-B Downhole methods using acid compositions containing corrosion inhibitors 液体能源集团有限公司 2024-02-06 CN 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
CN-110845443-A Method for preparing high-purity tolperisone hydrochloride 嘉实(湖南)医药科技有限公司 2020-02-28 CN disclosed
US-4283534-A Reductive alkylation of nitrogen heterocycles BASF AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed
EP-0017893-A1 Process for the preparation of heterocyclic tertiary aralkyl amines BASF Aktiengesellschaft (DE) 1980-10-29 EP disclosed
US-4009170-A 1-Ethoxy-3,4-dihydroisoquindines STERLING DRUG INC. (US) 1977-02-22 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 ALDH1A1 2761/4885TSHR 247/4885CYP2A6 266/4885
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 ALDH1A1 385/4885TSHR 1852/4885CYP2A6 164/4885
US-20160220549-A1 METHODS OF ADMINISTERING TOLPERISONE FOR THERAPEUTIC PURPOSES THOP1, ADAMTS4, ADAMTS5 ALDH1A1 455/4885TSHR 801/4885CYP2A6 311/4885
US-20170239228-A1 COMPOSITIONS OF TOLPERISONE ADAMTS4, ADAMTS1, ADAMTS5 ALDH1A1 272/4885TSHR 807/4885CYP2A6 106/4885
US-20160367540-A1 COMPOSITIONS OF TOLPERISONE ADAMTS4, ADAMTS1, ADAMTS5 ALDH1A1 272/4885TSHR 807/4885CYP2A6 106/4885
US-20180344717-A1 COMPOSITIONS OF TOLPERISONE ADAMTS4, ADAMTS1, ADAMTS5 ALDH1A1 272/4885TSHR 807/4885CYP2A6 106/4885

“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.