SCHEMBL3536957

SCHEMBL3536957

CC(C)C1CCCN1C(=O)c1cc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ L3MBTL3 Q96JM7 2/20 0.45
▸ PARP1 P09874 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ SYK P43405 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CNR1 P21554 1/20 0.43

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
SCHEMBL3541094 0.89 HRH3 (0.52) HRH4SYK
SCHEMBL3541256 0.87 HRH4 (0.49) HRH4L3MBTL1L3MBTL3PARP1HTT
SCHEMBL3540762 0.84 L3MBTL3 (0.57) HRH4L3MBTL1L3MBTL3PARP1HTT
SCHEMBL3543515 0.83 HRH4 (0.58) HRH4L3MBTL1L3MBTL3PARP1HTT
SCHEMBL3536251 0.83 HRH4 (0.58) HRH4L3MBTL1L3MBTL3PARP1HTT
SCHEMBL3542447 0.82 CNR2 (0.58) HRH4L3MBTL1L3MBTL3PARP1HTT
SCHEMBL3538988 0.82 L3MBTL1 (0.54) HRH4L3MBTL1L3MBTL3PARP1HTT
SCHEMBL3539731 0.81 L3MBTL3 (0.54) HRH4L3MBTL1L3MBTL3PARP1HTT
SCHEMBL3537927 0.81 HRH3 (0.54) HRH4L3MBTL1L3MBTL3PARP1HTT
SCHEMBL3537694 0.81 HRH3 (0.56) HRH4L3MBTL1L3MBTL3PARP1HTT

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 HRH4 1/4885L3MBTL1 3202/4885L3MBTL3 3467/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH4 1/4885L3MBTL1 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.

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