SCHEMBL2759534

SCHEMBL2759534

CCNCCc1cccc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.70
CHRM1 P11229 1/20 0.70
CHRM3 P20309 1/20 0.70
BCHE P06276 2/20 0.61
TAAR1 Q96RJ0 1/20 0.59
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
NPC1 O15118 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
AOC3 Q16853 1/20 0.53

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
Anisole SCHEMBL11654209 0.94 BCHE (0.63) CHRM2CHRM1CHRM3BCHETAAR1
SCHEMBL18114970 0.91 CHRM2 (0.77) CHRM2CHRM1CHRM3BCHETAAR1
SCHEMBL10645373 0.88 CHRM2 (0.68) CHRM2CHRM1CHRM3BCHETAAR1
Hydrochloric Acid SCHEMBL11475887 0.87 CHRM2 (0.66) CHRM2CHRM1CHRM3BCHETAAR1
SCHEMBL9517424 0.86 CHRM2 (0.70) CHRM2CHRM1CHRM3BCHETAAR1
SCHEMBL15681916 0.85 CHRM2 (0.68) CHRM2CHRM1CHRM3BCHETAAR1
Bromide SCHEMBL9649046 0.85 CHRM2 (0.68) CHRM2CHRM1CHRM3BCHETAAR1
SCHEMBL3164467 0.84 CHRM2 (0.66) CHRM2CHRM1CHRM3BCHETAAR1
SCHEMBL156300 0.83 TAAR1 (0.69) CHRM2CHRM1CHRM3TAAR1SIGMAR1
SCHEMBL29194688 0.83 BCHE (0.80) CHRM2CHRM1CHRM3BCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847178-B1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF US HEALTH (US) 2017-01-04 EP disclosed
US-9422308-B2 Derivatives of docosahexaenoylethanolamide and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-23 US disclosed
WO-2013158302-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-10-24 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 CHRM2 4880/4885CHRM1 4867/4885CHRM3 4876/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB CHRM2 2758/4885CHRM1 3176/4885CHRM3 2889/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CHRM2 3989/4885CHRM1 3203/4885CHRM3 3428/4885

“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.