SCHEMBL3540430

SCHEMBL3540430

CN(C)C1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.47
HRH3 Q9Y5N1 11/20 0.46
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HDAC4 P56524 1/20 0.39
CNR2 P34972 3/20 0.39
PDK2 Q15119 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL3537706 0.95 HRH3 (0.44) L3MBTL3HRH3CYP2D6CNR2PDK2
SCHEMBL3537789 0.88 HRH3 (0.59) L3MBTL3HRH3CYP2D6L3MBTL1TLR9
SCHEMBL3541240 0.86 HRH3 (0.56) HRH3CYP2D6
SCHEMBL3537289 0.85 L3MBTL3 (0.54) L3MBTL3HRH3L3MBTL1
SCHEMBL3536937 0.84 L3MBTL3 (0.53) L3MBTL3HRH3L3MBTL1
SCHEMBL3538713 0.84 HRH3 (0.57) L3MBTL3HRH3CYP2D6HDAC4PDK2
SCHEMBL3542455 0.84 HRH3 (0.57) L3MBTL3HRH3CYP2D6HDAC4PDK2
SCHEMBL3538719 0.84 HRH3 (0.57) L3MBTL3HRH3CYP2D6HDAC4PDK2
SCHEMBL3539042 0.83 HRH3 (0.59) L3MBTL3HRH3CYP2D6L3MBTL1
SCHEMBL3541802 0.83 HRH3 (0.61) L3MBTL3HRH3CYP2D6L3MBTL1CNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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 (2 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 L3MBTL3 3467/4885HRH3 2/4885CYP2D6 482/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 L3MBTL3 3467/4885HRH3 2/4885CYP2D6 482/4885

“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.