SCHEMBL2336307

SCHEMBL2336307

COCCN(C)C(=O)C(Cc1cnn(C)c1)N(Cc1ccc(-c2ccncc2)cc1)C(=O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.38
PLA2G7 Q13093 9/20 0.37
GPR119 Q8TDV5 2/20 0.36
CYP3A4 P08684 4/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
HDAC1 Q13547 1/20 0.34
RORC P51449 1/20 0.34
NAMPT P43490 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2373947 1.00 HTR5A (0.38) HTR5APLA2G7GPR119CYP3A4NOS3
SCHEMBL2374123 0.87 NOS3 (0.44) HTR5APLA2G7CYP3A4NOS3NOS1
SCHEMBL2374128 0.87 NOS3 (0.44) HTR5APLA2G7CYP3A4NOS3NOS1
SCHEMBL2338481 0.87 HTR5A (0.40) HTR5AGPR119NOS3NOS1NOS2
SCHEMBL2376194 0.87 HTR5A (0.40) HTR5AGPR119NOS3NOS1NOS2
SCHEMBL2374073 0.86 PPARG (0.39) HTR5APLA2G7CYP3A4NOS3NOS1
SCHEMBL2374076 0.86 PPARG (0.39) HTR5APLA2G7CYP3A4NOS3NOS1
SCHEMBL2335108 0.84 HTR5A (0.42) HTR5AGPR119NOS3NOS1NOS2
SCHEMBL2335105 0.84 HTR5A (0.42) HTR5AGPR119NOS3NOS1NOS2
SCHEMBL2375748 0.81 HTR5A (0.42) HTR5AGPR119NOS3NOS1NOS2

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 6 patents. 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 claimed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP claimed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO claimed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP disclosed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 HTR5A 4420/4885PLA2G7 606/4885GPR119 2204/4885

“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.