SCHEMBL534970

SCHEMBL534970

COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.68
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADRA2A P08913 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD4 P21917 1/20 0.62
ACHE P22303 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
ADRA1A P35348 1/20 0.62
DRD3 P35462 1/20 0.62
OPRK1 P41145 1/20 0.62
HTR2B P41595 1/20 0.62
CHRNA4 P43681 1/20 0.62
HTR3A P46098 1/20 0.62

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
SCHEMBL2601854 0.85 HTR4 (0.66) HTR4DRD2DRD4DRD3HTR3A
SCHEMBL257186 0.85 HTR3A (0.59) HTR4CYP2D6CYP2C9DRD2DRD4
SCHEMBL25557719 0.85 HTR4 (0.68) HTR4KCNH2
SCHEMBL255932 0.85 HTR3A (0.59) HTR4CYP2D6CYP2C9DRD2DRD4
SCHEMBL15854567 0.85 HTR3A (0.59) HTR4CYP2D6CYP2C9DRD2DRD4
SCHEMBL165828 0.85 HTR3A (0.59) HTR4CYP2D6CYP2C9DRD2DRD4
SCHEMBL15063225 0.85 HTR3A (0.59) HTR4CYP2D6CYP2C9DRD2DRD4
SCHEMBL15063215 0.85 HTR3A (0.59) HTR4CYP2D6CYP2C9DRD2DRD4
SCHEMBL15651948 0.84 HTR4 (0.78) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL15650737 0.83 HTR4 (0.83) HTR4CYP1A2CYP3A4ADRA2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094989-A1 5-HT RECEPTOR MODULATING COMPOUNDS SERODUS AS (NO) 2012-04-19 US disclosed
EP-2414331-A1 5-HT RECEPTOR MODULATING COMPOUNDS Serodus AS (NO) 2012-02-08 EP disclosed
WO-2010112865-A1 5-HT RECEPTOR MODULATING COMPOUNDS SERODUS AS (NO) 2010-10-07 WO disclosed
WO-2007068739-A1 4-AMINO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-21 WO 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-20120094989-A1 5-HT RECEPTOR MODULATING COMPOUNDS HTR5A, HTR1A, HTR2A HTR4 9/4885CYP1A2 831/4885CYP3A4 1244/4885

“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.