SCHEMBL3539153

SCHEMBL3539153

CC(C)n1c(C(=O)N2CCS(=O)(=O)CC2)cc2cc(C(=O)N3CCN(C4CCC4)CC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.51
L3MBTL1 Q9Y468 5/20 0.45
L3MBTL3 Q96JM7 4/20 0.45
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3540527 0.98 HRH3 (0.49) HRH3L3MBTL1L3MBTL3CYP2D6KDM4E
SCHEMBL28779770 0.92 HRH3 (0.51) HRH3L3MBTL1L3MBTL3CYP2D6KDM4E
SCHEMBL27739833 0.90 HRH3 (0.49) HRH3L3MBTL1L3MBTL3CYP2D6KDM4E
SCHEMBL3539835 0.86 HRH3 (0.58) HRH3L3MBTL1L3MBTL3CYP2D6HTT
SCHEMBL3543762 0.86 HRH3 (0.48) HRH3CYP2D6
SCHEMBL3541052 0.85 HRH3 (0.64) HRH3L3MBTL1L3MBTL3CYP2D6
SCHEMBL3534123 0.85 HRH3 (0.58) HRH3L3MBTL1L3MBTL3CYP2D6KDM4E
SCHEMBL3538951 0.84 CHRNA7 (0.50) HRH3CYP2D6ALDH1A1
SCHEMBL3540158 0.83 HRH3 (0.40) HRH3L3MBTL1L3MBTL3CYP2D6
SCHEMBL1552699 0.83 HRH3 (0.61) HRH3CYP2D6

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-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
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 2/4885L3MBTL1 3202/4885L3MBTL3 3467/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885L3MBTL1 3202/4885L3MBTL3 3467/4885

“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.