SCHEMBL1830490

SCHEMBL1830490

C[C@@H](COC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.57
CHRM2 P08172 3/20 0.57
CHRM3 P20309 2/20 0.57
CHRM5 P08912 2/20 0.57
CHRM4 P08173 1/20 0.57
OPRM1 P35372 5/20 0.52
PLD2 O14939 3/20 0.51
PLD1 Q13393 2/20 0.51
HSD11B1 P28845 5/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
OPRK1 P41145 4/20 0.49
HTR1A P08908 4/20 0.49
DRD1 P21728 3/20 0.49
SLC6A2 P23975 3/20 0.49
ADRA1A P35348 3/20 0.49
DRD2 P14416 3/20 0.49
HTR2A P28223 3/20 0.49
DRD3 P35462 3/20 0.49
KCNH2 Q12809 3/20 0.49

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
SCHEMBL1830493 1.00 CHRM1 (0.57) CHRM1CHRM2CHRM3CHRM5CHRM4
Hydrochloric Acid SCHEMBL1832299 0.99 CHRM1 (0.56) CHRM1CHRM2CHRM3CHRM5CHRM4
Hydrochloric Acid SCHEMBL1832297 0.99 CHRM1 (0.56) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL1834401 0.95 CHRM1 (0.63) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL30197467 0.95 CHRM1 (0.63) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL1834402 0.95 CHRM1 (0.63) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL3747891 0.92 CHRM1 (0.57) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL1839826 0.92 CHRM1 (0.57) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL1839824 0.92 CHRM1 (0.57) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL3747893 0.92 CHRM1 (0.57) CHRM1CHRM2CHRM3CHRM5CHRM4

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 9 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
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
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 CHRM1 2810/4885CHRM2 1897/4885CHRM3 1865/4885
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 CHRM1 4225/4885CHRM2 4450/4885CHRM3 3427/4885

“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.