SCHEMBL3170208

SCHEMBL3170208

CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HRH4 Q9H3N8 12/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HCRTR1 O43613 1/20 0.46
HRH3 Q9Y5N1 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL3541555 0.87 HRH3 (0.53) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL3166069 0.87 KMT2A (0.53) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL3169524 0.87 KMT2A (0.66) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL3166185 0.86 KMT2A (0.57) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL3539968 0.86 HRH4 (0.53) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL3539385 0.85 KMT2A (0.51) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL3166003 0.83 HRH3 (0.52) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL3170610 0.82 KMT2A (0.56) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL4824070 0.81 HRH4 (0.66) KMT2AMEN1HRH4NPC1RAB9A
SCHEMBL3174972 0.80 HRH4 (0.55) HRH4NPC1RAB9AHRH3CA12

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-7648979-B2 5-amido-(1H-indol-2-yl)-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-19 US disclosed
EP-2118059-A1 5 -AMIDO- (IH- INDOL- 2 -YL) PIPERAZIN-1-YL-METHANONE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008095823-A1 5 -AMIDO- (IH- INDOL- 2 -YL) PIPERAZIN-1-YL-METHANONE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 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-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 KMT2A 820/4885MEN1 1317/4885HRH4 1/4885

“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.