SCHEMBL1836016

SCHEMBL1836016

O=C(OCCC(c1ccccc1)c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.67
CHRM2 P08172 4/20 0.67
CHRM4 P08173 3/20 0.67
CHRM3 P20309 3/20 0.67
CHRM5 P08912 2/20 0.67
OPRM1 P35372 6/20 0.57
OPRK1 P41145 4/20 0.57
HTR1A P08908 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
DRD1 P21728 2/20 0.57
SLC6A2 P23975 2/20 0.57
ADRA1A P35348 2/20 0.57
AVPR1A P37288 2/20 0.57
OPRD1 P41143 2/20 0.57
TACR2 P21452 1/20 0.57
DRD5 P21918 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR1B P28222 1/20 0.57
TSPO P30536 1/20 0.57
ADORA1 P30542 1/20 0.57

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
SCHEMBL1837210 0.90 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13070437 0.89 CHRM2 (0.71) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4669587 0.84 CHRM1 (0.91) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3633996 0.83 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL1833727 0.83 CHRM2 (0.61) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL1831503 0.83 CHRM2 (0.61) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3635261 0.83 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3637359 0.83 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL12658418 0.83 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3636653 0.82 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101742909-B Use of compounds having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions COMMISSARIAT ENERGIE ATOMIQUE 2014-07-09 CN 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 claimed
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 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
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 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
CN-101742909-A Have purposes and weed killer herbicide and the algaecide composition of the compound of single galactosyl DG synthase inhibitory activity as weed killer herbicide or algicide CENTRE NAT RECH SCIENT 2010-06-16 CN claimed
EP-2160098-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS Commissariat a L'Energie Atomique (FR) 2010-03-10 EP claimed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO claimed
WO-2008146174-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO claimed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP claimed
EP-1997381-A1 Use of a compound having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions Commissariat à l'Energie Atomique (FR) 2008-12-03 EP claimed
CN-101742909-B Use of compounds having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions COMMISSARIAT ENERGIE ATOMIQUE 2014-07-09 CN disclosed
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
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-1997381-A1 Use of a compound having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
EP-1997381-A1 Use of a compound having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP 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 CHRM1 2810/4885CHRM2 1897/4885CHRM4 2387/4885
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 CHRM1 4225/4885CHRM2 4450/4885CHRM4 4379/4885

“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.