SCHEMBL4936216

SCHEMBL4936216

Cc1ccccc1C(=O)C(C)CN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.61
ADRA2B P18089 2/20 0.61
DRD3 P35462 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
HRH3 Q9Y5N1 2/20 0.61
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
CYP2D6 P10635 1/20 0.55
ADRA2C P18825 1/20 0.55
CHRM3 P20309 1/20 0.55
OPRD1 P41143 1/20 0.55
KCNH2 Q12809 1/20 0.55
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47

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
SCHEMBL13304408 1.00 CHRM2 (0.61) CHRM2ADRA2BDRD3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL30463043 0.99 ALDH1A1 (0.62) CHRM2ADRA2BDRD3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL30463042 0.99 ALDH1A1 (0.62) CHRM2ADRA2BDRD3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL3339536 0.99 ALDH1A1 (0.62) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9720608 0.87 CHRM2 (0.56) CHRM2ADRA2BDRD3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL9720679 0.86 ALDH1A1 (0.57) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL10859044 0.85 CHRM2 (0.57) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL11031607 0.84 CHRM2 (0.56) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL10847938 0.83 CHRM2 (0.70) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL14021127 0.83 SLC6A4 (0.54) CHRM2ADRA2BDRD3SIGMAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372979-B2 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) 2013-02-12 US disclosed
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 disclosed
US-20080188522-A1 Method for producing salts of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2008-08-07 US disclosed
US-20080188522-A1 Method for producing salts of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2008-08-07 US disclosed
US-20080188522-A1 Method for producing salts of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2008-08-07 US disclosed
US-7385060-B2 Method for producing salts of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2008-06-10 US disclosed
US-7385060-B2 Method for producing salts of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2008-06-10 US disclosed
US-7385060-B2 Method for producing salts of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2008-06-10 US disclosed
EP-1567510-B1 METHOD FOR PRODUCING SALTS OF TOLPERISONE SANOCHEMIA PHARMAZEUTIKA AG (AT) 2006-12-20 EP disclosed
US-20060041141-A1 Method for producing salts of tolperisone Sanochemia Pharmazeutika GmbH (AT) 2006-02-23 US disclosed
EP-1567510-A1 METHOD FOR PRODUCING SALTS OF TOLPERISONE Sanochemia Pharmazeutica Aktiengesellschaft (AT) 2005-08-31 EP disclosed
WO-2004050648-A1 METHOD FOR PRODUCING SALTS OF TOLPERISONE SANOCHEMIA PHARMAZEUTIKA AG (AT) 2004-06-17 WO disclosed
EP-0273375-B2 Propiophenone derivatives for treatment of pollakiuria (frequency urination) HOKURIKU PHARMACEUTICAL (JP) 1995-05-10 EP disclosed
US-4912116-A Propiophenone derivatives for treatment of pollakiuria (frequency urination) HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-03-27 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 (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-20080188522-A1 Method for producing salts of tolperisone THOP1, DCTPP1, CYP21A2 CHRM2 1387/4885ADRA2B 226/4885DRD3 515/4885
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 CHRM2 258/4885ADRA2B 964/4885DRD3 1221/4885
US-20060041141-A1 Method for producing salts of tolperisone CYP21A2, THOP1, DCTPP1 CHRM2 1409/4885ADRA2B 196/4885DRD3 518/4885

“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.