SCHEMBL2374731

SCHEMBL2374731

O=C(O)C(Cn1cccc1)N(Cc1ccc(-c2ccncc2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CYP24A1 Q07973 1/20 0.38
MMP1 P03956 1/20 0.38
CYP1A2 P05177 3/20 0.38
MAOB P27338 2/20 0.36
NOS3 P29474 1/20 0.36

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
SCHEMBL2374733 1.00 HTR5A (0.41) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2375316 0.90 TRPV1 (0.40) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2375311 0.90 TRPV1 (0.40) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2375324 0.90 TRPV1 (0.40) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2374716 0.89 NOS3 (0.44) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2374882 0.85 CYP24A1 (0.39) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2373585 0.85 HTR5A (0.39) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2373580 0.85 HTR5A (0.39) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2335108 0.84 HTR5A (0.42) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL2335105 0.84 HTR5A (0.42) HTR5AHTR1ADRD2DRD4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 HTR5A 4420/4885HTR1A 4509/4885DRD2 4412/4885

“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.