SCHEMBL10058699

SCHEMBL10058699

Cc1[nH]c(C)c(CN(C)C)c1CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CYP3A4 P08684 1/20 0.50
UPP1 Q16831 1/20 0.37
ADRB2 P07550 1/20 0.37
HTR6 P50406 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTR7 P34969 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR2B P41595 1/20 0.32
TYMP P19971 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL15996298 0.86 CYP3A4 (0.45) MAPTCYP3A4UPP1ADRB2HTR6
SCHEMBL6044950 0.73 MAPT (0.38) MAPTCYP3A4UPP1ADRB2ALDH1A1
SCHEMBL6088155 0.70 CYP3A4 (0.38) MAPTCYP3A4UPP1ALDH1A1KDM4E
2-Methyl Gramine SCHEMBL2519973 0.69 MAPT (1.00) MAPTCYP3A4HTR6ALDH1A1KDM4E
SCHEMBL28135724 0.66 CYP3A4 (0.38) MAPTCYP3A4ADRB2ALDH1A1KDM4E
SCHEMBL10146022 0.66 MAPK1 (0.48) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14279381 0.63 ALDH1A1 (0.41) MAPTCYP3A4UPP1ADRB2ALDH1A1
SCHEMBL3199967 0.63 HTR1D (0.38) MAPTCYP3A4ALDH1A1KDM4EHPGD
SCHEMBL11826128 0.63 UPP1 (0.38) MAPTCYP3A4UPP1ADRB2ALDH1A1
SCHEMBL2884631 0.63 CYP3A4 (0.32) MAPTCYP3A4UPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124490-A1 HIGH STABILITY POLYIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2017-02-01 EP disclosed
EP-2114969-B1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA ALDRICH CO LLC (US) 2016-06-29 EP disclosed
US-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 US disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 US disclosed
US-8097721-B2 polycationic or polyanionic molecules; use as stationary phases in gas chromatography, and as a reagent in electrospray ionization-mass spectrometry (ESI-MS); thermal stability; tris(anion) such as tris(sulfonate) or tris(cation) groups such as imidazolium, pyrrolidinium, ammonium SIGMA-ALDRICH CO. LLC (US) 2012-01-17 US disclosed
US-8097721-B2 polycationic or polyanionic molecules; use as stationary phases in gas chromatography, and as a reagent in electrospray ionization-mass spectrometry (ESI-MS); thermal stability; tris(anion) such as tris(sulfonate) or tris(cation) groups such as imidazolium, pyrrolidinium, ammonium SIGMA-ALDRICH CO. LLC (US) 2012-01-17 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 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 (2 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-20080210858-A1 High Stability Polyionic Liquid Salts PUF60, POLI, PARG MAPT 1190/4885CYP3A4 4661/4885UPP1 3199/4885
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS PUF60, POLI, PARG MAPT 1190/4885CYP3A4 4661/4885UPP1 3199/4885

“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.