SCHEMBL3539588

SCHEMBL3539588

CN(C)C1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
L3MBTL3 Q96JM7 2/20 0.45
HDAC4 P56524 1/20 0.42
MGLL Q99685 1/20 0.41
MCHR1 Q99705 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDK2 Q15119 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ACACA Q13085 2/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ATR Q13535 1/20 0.39
ACACB O00763 1/20 0.39
HSD11B1 P28845 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL3537669 0.91 HRH3 (0.44) HRH3L3MBTL3HDAC4MGLLHPGD
SCHEMBL3541051 0.90 HRH3 (0.50) HRH3L3MBTL3HDAC4MGLLHPGD
SCHEMBL3539029 0.88 KDM1A (0.45) HRH3L3MBTL3MGLLCYP2D6PDK2
SCHEMBL3541263 0.87 PDK2 (0.46) HRH3L3MBTL3MGLLMCHR1HPGD
SCHEMBL3543978 0.86 HRH3 (0.56) HRH3L3MBTL3MGLLHPGDCYP2D6
SCHEMBL3536585 0.86 HRH3 (0.54) HRH3L3MBTL3MGLLHPGDCYP2D6
SCHEMBL3537268 0.86 HRH3 (0.53) HRH3MGLLHPGDCYP2D6ACACA
SCHEMBL3538167 0.85 HPGD (0.51) HRH3L3MBTL3MGLLHPGDCYP2D6
SCHEMBL3537316 0.82 HRH3 (0.43) HRH3L3MBTL3HPGDCYP2D6L3MBTL1
SCHEMBL3537789 0.82 HRH3 (0.59) HRH3L3MBTL3HDAC4CYP2D6PDK2

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 3467/4885HDAC4 401/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885L3MBTL3 3467/4885HDAC4 401/4885

“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.