SCHEMBL3540747

SCHEMBL3540747

CC(C)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(C(=O)N3CCC(N4CCOCC4)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.55
CYP2D6 P10635 1/20 0.55
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.42
EPHX2 P34913 3/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL3541300 0.92 CYP2D6 (0.58) HRH3CYP2D6L3MBTL3L3MBTL1KDM4E
SCHEMBL3540953 0.91 CYP2D6 (0.57) HRH3CYP2D6L3MBTL3L3MBTL1KDM4E
SCHEMBL3534123 0.88 HRH3 (0.58) HRH3CYP2D6L3MBTL3L3MBTL1KDM4E
SCHEMBL3539835 0.88 HRH3 (0.58) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL3541052 0.85 HRH3 (0.64) HRH3CYP2D6L3MBTL3L3MBTL1KMT2A
SCHEMBL3537359 0.84 HRH3 (0.59) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL3544583 0.83 HRH3 (0.75) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL3539890 0.82 HPGD (0.50) HRH3CYP2D6L3MBTL3L3MBTL1KDM4E
SCHEMBL3543062 0.81 HRH3 (0.66) HRH3CYP2D6KMT2A
SCHEMBL3538806 0.81 HRH3 (0.56) HRH3CYP2D6L3MBTL3L3MBTL1KMT2A

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 2/4885CYP2D6 482/4885L3MBTL3 3467/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885CYP2D6 482/4885L3MBTL3 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.