SCHEMBL2376092

SCHEMBL2376092

COCCN(C)C(=O)C(Cn1cccc1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.38
GPR119 Q8TDV5 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
HDAC1 Q13547 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
EPHX2 P34913 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SLC6A9 P48067 1/20 0.33
NR1H4 Q96RI1 3/20 0.33
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL2376084 1.00 HTR5A (0.38) HTR5AGPR119TRPV1PPARDPPARA
SCHEMBL2376088 1.00 HTR5A (0.38) HTR5AGPR119TRPV1PPARDPPARA
SCHEMBL2335108 0.92 HTR5A (0.42) HTR5AGPR119PPARDPPARAPPARG
SCHEMBL2335105 0.92 HTR5A (0.42) HTR5AGPR119PPARDPPARAPPARG
SCHEMBL2376054 0.89 KEAP1 (0.38) HTR5AGPR119TRPV1HDAC1TRPM8
SCHEMBL2376046 0.89 KEAP1 (0.38) HTR5AGPR119TRPV1HDAC1TRPM8
SCHEMBL2376165 0.88 HTR5A (0.37) HTR5AGPR119TRPV1PPARDPPARA
SCHEMBL2376158 0.88 HTR5A (0.37) HTR5AGPR119TRPV1PPARDPPARA
SCHEMBL2375102 0.88 NOS3 (0.42) HTR5ATRPV1PPARDPPARAPPARG
SCHEMBL2375108 0.88 NOS3 (0.42) HTR5ATRPV1PPARDPPARAPPARG

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.