SCHEMBL3540795

SCHEMBL3540795

CN(C)C1CCCN(C(=O)c2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH3 Q9Y5N1 8/20 0.50
HRH4 Q9H3N8 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
AKR1C3 P42330 2/20 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
SCHEMBL3535650 0.87 MAPT (0.46) SMN1; SMN2HRH3HRH4NPC1RAB9A
SCHEMBL3536062 0.82 HRH3 (0.54) POLBSMN1; SMN2HRH3NPC1RAB9A
SCHEMBL3536687 0.81 HRH3 (0.54) HRH3HRH4KMT2AAKR1C3
SCHEMBL3536682 0.81 HRH3 (0.54) HRH3HRH4KMT2AAKR1C3
SCHEMBL3540840 0.81 HRH3 (0.54) HRH3HRH4KMT2AAKR1C3
SCHEMBL3540113 0.81 L3MBTL3 (0.50) HRH3HRH4AKR1C3
Hydrochloric Acid SCHEMBL3540617 0.80 L3MBTL3 (0.49) HRH3HRH4
SCHEMBL3539512 0.79 HRH3 (0.64) POLBSMN1; SMN2HRH3HRH4HTT
SCHEMBL3536829 0.77 HRH3 (0.64) POLBSMN1; SMN2HRH3HRH4NPC1
SCHEMBL3542599 0.77 KMT2A (0.48) HRH3NPC1RAB9ALMNAHTT

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 POLB 4439/4885SMN1; SMN2 2569/4885HRH3 2/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 POLB 4439/4885SMN1; SMN2 2569/4885HRH3 2/4885

“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.