SCHEMBL13453078

SCHEMBL13453078

CCOc1cc(N)c(ON=N)cc1C(=O)NC1CCN(CC2CC=CCC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.71
ADRB2 P07550 1/20 0.71
CHRM1 P11229 1/20 0.71
DRD2 P14416 1/20 0.71
ADRA2B P18089 1/20 0.71
ADRA2C P18825 1/20 0.71
CHRM3 P20309 1/20 0.71
SLC6A2 P23975 1/20 0.71
HTR2A P28223 1/20 0.71
SLC6A4 P31645 1/20 0.71
HRH1 P35367 1/20 0.71
DRD3 P35462 1/20 0.71
OPRK1 P41145 1/20 0.71
HTR2B P41595 1/20 0.71
CHRNA4 P43681 1/20 0.71
HTR3A P46098 1/20 0.71
SLC6A3 Q01959 1/20 0.71
KCNH2 Q12809 1/20 0.71
HRH3 Q9Y5N1 1/20 0.71
HTR4 Q13639 2/20 0.44

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
SCHEMBL11946697 0.87 MLNR (0.77) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL19235643 0.84 MLNR (0.86) MLNRADRB2CHRM1DRD2ADRA2B
Cinitapride SCHEMBL29453925 0.83 MLNR (1.00) MLNRADRB2CHRM1DRD2ADRA2B
Cinitapride SCHEMBL476454 0.83 MLNR (1.00) MLNRADRB2CHRM1DRD2ADRA2B
Cinitapride SCHEMBL29692032 0.79 DRD2 (0.90) MLNRADRB2CHRM1DRD2ADRA2B
Cinitapride SCHEMBL1229865 0.79 DRD2 (0.90) MLNRADRB2CHRM1DRD2ADRA2B
Alepride SCHEMBL2109370 0.76 MLNR (0.62) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL6903359 0.76 MLNR (0.72) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL6903355 0.76 MLNR (0.72) MLNRADRB2CHRM1DRD2ADRA2B
SCHEMBL9867256 0.75 MLNR (0.84) MLNRADRB2CHRM1DRD2ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 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 (1 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK MLNR 279/4885ADRB2 2518/4885CHRM1 3355/4885

“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.