SCHEMBL1835865

SCHEMBL1835865

CC(COC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRK1 P41145 2/20 0.45
TNKS O95271 1/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TACR2 P21452 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR1B P28222 1/20 0.45

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
SCHEMBL1835862 1.00 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1836040 0.99 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1836037 0.99 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1834401 0.89 CHRM1 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1834402 0.89 CHRM1 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30197467 0.89 CHRM1 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1832710 0.89 CHRM1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1832703 0.89 CHRM1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1836284 0.88 CHRM1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1836279 0.88 CHRM1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3

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
US-8637496-B2 Compounds having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-01-28 US claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US claimed
US-20100273653-A1 Use of Compounds Having a Mongalactosydiacylglycerol Syhnthase Inhibitory Activity as Herbicide or Algaecide, Herbicide and Algaecide Compositions COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-10-28 US claimed
US-8637496-B2 Compounds having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-01-28 US disclosed
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 EP disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 EP disclosed
US-20100273653-A1 Use of Compounds Having a Mongalactosydiacylglycerol Syhnthase Inhibitory Activity as Herbicide or Algaecide, Herbicide and Algaecide Compositions COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-10-28 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-20100273653-A1 Use of Compounds Having a Mongalactosydiacylglycerol Syhnthase Inhibitory Activity as Herbicide or Algaecide, Herbicide and Algaecide Compositions GMDS, MGLL, MGAM CHRM2 1897/4885CHRM4 2387/4885CHRM5 2558/4885
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 CHRM2 4450/4885CHRM4 4379/4885CHRM5 3963/4885

“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.