SCHEMBL9720545

SCHEMBL9720545

CC(CN1CCCCC1)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.70
ADRA2B P18089 2/20 0.70
DRD3 P35462 2/20 0.70
SIGMAR1 Q99720 2/20 0.70
HRH3 Q9Y5N1 2/20 0.70
ALDH1A1 P00352 5/20 0.68
LMNA P02545 3/20 0.68
CYP2D6 P10635 1/20 0.67
ADRA2C P18825 1/20 0.67
CHRM3 P20309 1/20 0.67
OPRD1 P41143 1/20 0.67
KCNH2 Q12809 1/20 0.67
MC4R P32245 1/20 0.59
SLC6A4 P31645 2/20 0.55
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.48
OPRK1 P41145 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
Lanperisone SCHEMBL570832 0.99 CHRM2 (0.68) CHRM2ADRA2BDRD3SIGMAR1HRH3
Lanperisone SCHEMBL5819917 0.99 CHRM2 (0.68) CHRM2ADRA2BDRD3SIGMAR1HRH3
Lanperisone SCHEMBL5819985 0.97 ALDH1A1 (0.68) CHRM2ADRA2BDRD3SIGMAR1HRH3
Lanperisone SCHEMBL1987393 0.97 ALDH1A1 (0.68) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL10851001 0.87 SIGMAR1 (0.72) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL13058950 0.86 ALDH1A1 (0.67) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9168033 0.86 CHRM2 (0.69) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL12123621 0.84 CHRM2 (0.76) CHRM2ADRA2BDRD3SIGMAR1HRH3
Tolperisone SCHEMBL4516510 0.82 CHRM2 (1.00) CHRM2ADRA2BDRD3SIGMAR1HRH3
Tolperisone SCHEMBL148499 0.82 CHRM2 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019195775-A1 TOLPERISONE ANALOGS AND METHODS OF USE FLEX PHARMA, INC. (US) 2019-10-10 WO disclosed
US-20100298329-A1 TOLPERISONE AND TOLPERISONE-LIKE DRUGS FOR THE TREATMENT OF K-RAS ASSOCIATED CANCERS MASSACHUSETTE INSTITUTE OF TECHNOLOGY (US) 2010-11-25 US disclosed
US-20100298329-A1 TOLPERISONE AND TOLPERISONE-LIKE DRUGS FOR THE TREATMENT OF K-RAS ASSOCIATED CANCERS MASSACHUSETTE INSTITUTE OF TECHNOLOGY (US) 2010-11-25 US disclosed
WO-2009038771-A2 TOLPERISONE AND TOLPERISONE-LIKE DRUGS FOR THE TREATMENT OF K-RAS ASSOCIATED CANCERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-26 WO disclosed
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 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 (1 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-20100298329-A1 TOLPERISONE AND TOLPERISONE-LIKE DRUGS FOR THE TREATMENT OF K-RAS ASSOCIATED CANCERS NRAS, KRAS, RASGRP1 CHRM2 4614/4885ADRA2B 2168/4885DRD3 3346/4885

“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.