SCHEMBL2376165

SCHEMBL2376165

COCCN(C)C(=O)C(Cc1ccn(C)n1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.37
GPR119 Q8TDV5 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SRPK1 Q96SB4 2/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SLC6A9 P48067 1/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HDAC1 Q13547 2/20 0.31
NR1H4 Q96RI1 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2376158 1.00 HTR5A (0.37) HTR5AGPR119TRPV1SRPK1NOS3
SCHEMBL2376194 0.92 HTR5A (0.40) HTR5AGPR119SRPK1NOS3NOS1
SCHEMBL2338481 0.92 HTR5A (0.40) HTR5AGPR119SRPK1NOS3NOS1
SCHEMBL2376045 0.89 NOS3 (0.40) HTR5ATRPV1SRPK1NOS3NOS1
SCHEMBL2376043 0.89 NOS3 (0.40) HTR5ATRPV1SRPK1NOS3NOS1
SCHEMBL2376092 0.88 HTR5A (0.38) HTR5AGPR119TRPV1NOS3NOS1
SCHEMBL2376084 0.88 HTR5A (0.38) HTR5AGPR119TRPV1NOS3NOS1
SCHEMBL2376088 0.88 HTR5A (0.38) HTR5AGPR119TRPV1NOS3NOS1
SCHEMBL2375424 0.88 TRPV1 (0.36) HTR5ATRPV1SRPK1NOS3NOS1
SCHEMBL2375428 0.88 TRPV1 (0.36) HTR5ATRPV1SRPK1NOS3NOS1

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US claimed
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 4420/4885GPR119 2204/4885TRPV1 2628/4885

“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.