SCHEMBL3537669

SCHEMBL3537669

CN(C)C1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G10 O15496 1/20 0.42
CACNA1B Q00975 1/20 0.42
HSD11B1 P28845 1/20 0.42
MGLL Q99685 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
HDAC4 P56524 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
PDK2 Q15119 1/20 0.40
GAA P10253 1/20 0.40
RBP4 P02753 1/20 0.40

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
SCHEMBL3541263 0.96 PDK2 (0.46) HRH3L3MBTL3HPGDALDH1A1PLA2G10
SCHEMBL3539588 0.91 HRH3 (0.46) HRH3L3MBTL3HPGDHSD11B1MGLL
SCHEMBL3538167 0.90 HPGD (0.51) HRH3L3MBTL3HPGDALDH1A1HSD11B1
SCHEMBL3542180 0.88 L3MBTL3 (0.48) HRH3L3MBTL3HPGDALDH1A1KMT2A
SCHEMBL3537316 0.87 HRH3 (0.43) HRH3L3MBTL3HPGDALDH1A1SMN1; SMN2
SCHEMBL3536511 0.87 L3MBTL3 (0.47) HRH3L3MBTL3HPGDALDH1A1KMT2A
SCHEMBL3535856 0.87 HRH3 (0.54) HRH3HPGDALDH1A1PLA2G10MGLL
SCHEMBL3537598 0.87 HRH3 (0.52) HRH3HPGDALDH1A1PLA2G10MGLL
SCHEMBL3539043 0.86 HRH3 (0.51) HRH3HPGDALDH1A1PLA2G10KMT2A
SCHEMBL3540408 0.86 HRH3 (0.52) HRH3L3MBTL3HPGDALDH1A1PLA2G10

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 HRH3 2/4885L3MBTL3 3467/4885HPGD 810/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885L3MBTL3 3467/4885HPGD 810/4885

“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.