SCHEMBL3543333

SCHEMBL3543333

O=C(c1ccc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1)N1CCN(C2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
HRH4 Q9H3N8 4/20 0.50
GPR183 P32249 4/20 0.49
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 1/20 0.47
SYK P43405 1/20 0.47
PARP1 P09874 1/20 0.45
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3537927 0.98 HRH3 (0.54) HRH3HRH4GPR183L3MBTL3L3MBTL1
SCHEMBL3544235 0.92 L3MBTL3 (0.59) HRH3HRH4GPR183L3MBTL3L3MBTL1
SCHEMBL3538625 0.91 L3MBTL3 (0.58) HRH3HRH4GPR183L3MBTL3L3MBTL1
SCHEMBL3541462 0.87 HRH3 (0.56) HRH3HRH4GPR183L3MBTL3L3MBTL1
SCHEMBL3540762 0.87 L3MBTL3 (0.57) HRH3HRH4L3MBTL3L3MBTL1KMT2A
SCHEMBL3536251 0.86 HRH4 (0.58) HRH3HRH4L3MBTL3L3MBTL1KMT2A
SCHEMBL3543515 0.86 HRH4 (0.58) HRH3HRH4L3MBTL3L3MBTL1KMT2A
SCHEMBL3536699 0.85 L3MBTL1 (0.53) HRH3HRH4L3MBTL3L3MBTL1PARP1
SCHEMBL3542191 0.84 HRH4 (0.54) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL27739830 0.84 HRH4 (0.54) HRH3HRH4L3MBTL3L3MBTL1SYK

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 2/4885HRH4 1/4885GPR183 264/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HRH4 1/4885GPR183 264/4885

“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.