SCHEMBL2375708

SCHEMBL2375708

COCCN(C)C(=O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)C=Cc1ccc(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 2/20 0.35
GHSR Q92847 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
SLCO2B1 O94956 1/20 0.35
ABCB11 O95342 1/20 0.35
ABCB1 P08183 1/20 0.35
CCKAR P32238 1/20 0.35
OPRK1 P41145 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
HDAC1 Q13547 1/20 0.35
HTR5A P47898 3/20 0.35
PPARG P37231 1/20 0.34
MME P08473 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
ATR Q13535 1/20 0.33
SLC6A9 P48067 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL2375709 1.00 UGT1A1 (0.35) UGT1A1GHSRMLNRNR1I2SLCO2B1
SCHEMBL2375705 1.00 UGT1A1 (0.35) UGT1A1GHSRMLNRNR1I2SLCO2B1
SCHEMBL2337324 0.92 HTR5A (0.39) GHSRHDAC1HTR5APPARGMME
SCHEMBL2337317 0.92 HTR5A (0.39) GHSRHDAC1HTR5APPARGMME
SCHEMBL2337320 0.92 HTR5A (0.39) GHSRHDAC1HTR5APPARGMME
SCHEMBL2374024 0.90 GPR119 (0.38) UGT1A1GHSRMLNRNR1I2SLCO2B1
SCHEMBL2374026 0.90 GPR119 (0.38) UGT1A1GHSRMLNRNR1I2SLCO2B1
SCHEMBL2374021 0.90 GPR119 (0.38) UGT1A1GHSRMLNRNR1I2SLCO2B1
SCHEMBL2337732 0.89 UGT1A1 (0.35) UGT1A1GHSRMLNRNR1I2SLCO2B1
SCHEMBL2337736 0.89 UGT1A1 (0.35) UGT1A1GHSRMLNRNR1I2SLCO2B1

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 UGT1A1 1782/4885GHSR 4816/4885MLNR 2371/4885

“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.