SCHEMBL1003732

SCHEMBL1003732

CC(C)N(CCN)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.49
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.45
TRPM8 Q7Z2W7 4/20 0.45
HTR2A P28223 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 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
SCHEMBL1003822 0.84 HTR1A (0.47) HTR1ADRD2TRPM8HTR2AMEN1
SCHEMBL23791942 0.83 HTR1A (0.46) HTR1ADRD2TRPM8HTR2AMEN1
SCHEMBL12130667 0.81 MEN1 (0.54) HTR1ADRD2HTR2AMEN1KMT2A
SCHEMBL1004615 0.80 NAMPT (0.55) HTR1ATRPM8HTR2AMEN1KMT2A
SCHEMBL8034861 0.80 HTR1A (0.50) HTR1ADRD2TRPM8HTR2AMEN1
SCHEMBL7531771 0.79 MEN1 (0.46) HTR1ADRD2TRPM8HTR2AMEN1
SCHEMBL8029222 0.78 HDAC6 (0.51) HTR1ADRD2HTR2ALMNA
SCHEMBL1003843 0.77 ADRA2C (0.53) ADRA2CMEN1KMT2AALDH1A1HPGD
SCHEMBL14327337 0.76 ADRA2C (0.56) ADRA2CMEN1KMT2ATSHRALDH1A1
SCHEMBL633271 0.76 ADRA2C (0.56) ADRA2CMEN1KMT2ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B ADRA2C 2889/4885HTR1A 2570/4885DRD2 669/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B ADRA2C 2889/4885HTR1A 2570/4885DRD2 669/4885

“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.