SCHEMBL2337320

SCHEMBL2337320

COCCN(C)C(=O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2ccncc2)cc1)C(=O)C=Cc1ccc(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.39
GHSR Q92847 1/20 0.38
MME P08473 1/20 0.37
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
BRAF P15056 1/20 0.34
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
PPARG P37231 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
MAPT P10636 1/20 0.33
PSMB5 P28074 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
RPS6KA4 O75676 1/20 0.33
PRKACA P17612 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3A P49840 1/20 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
SCHEMBL2337317 1.00 HTR5A (0.39) HTR5AGHSRMMEHDAC1ALDH1A1
SCHEMBL2337324 1.00 HTR5A (0.39) HTR5AGHSRMMEHDAC1ALDH1A1
SCHEMBL2375709 0.92 UGT1A1 (0.35) HTR5AGHSRMMEHDAC1ALDH1A1
SCHEMBL2375708 0.92 UGT1A1 (0.35) HTR5AGHSRMMEHDAC1ALDH1A1
SCHEMBL2375705 0.92 UGT1A1 (0.35) HTR5AGHSRMMEHDAC1ALDH1A1
SCHEMBL2375745 0.89 HTR5A (0.42) HTR5AGHSRMMEGPR119
SCHEMBL2375754 0.89 HTR5A (0.42) HTR5AGHSRMMEGPR119
SCHEMBL2375748 0.89 HTR5A (0.42) HTR5AGHSRMMEGPR119
SCHEMBL2372750 0.87 GHSR (0.40) HTR5AGHSRMMEHDAC1ALDH1A1
SCHEMBL2372747 0.87 GHSR (0.40) HTR5AGHSRMMEHDAC1ALDH1A1

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 4 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
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 4420/4885GHSR 4816/4885MME 1117/4885

“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.