SCHEMBL3538862

SCHEMBL3538862

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2CC(F)(F)F)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.67
L3MBTL3 Q96JM7 10/20 0.52
L3MBTL1 Q9Y468 9/20 0.52
MBTD1 Q05BQ5 5/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53BP1 Q12888 2/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL3541810 0.99 HRH3 (0.68) HRH3L3MBTL3L3MBTL1MBTD1KDM4E
SCHEMBL3536090 0.92 HRH3 (0.76) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL3537010 0.92 HRH3 (0.79) HRH3L3MBTL3L3MBTL1
SCHEMBL3544583 0.91 HRH3 (0.75) HRH3L3MBTL3L3MBTL1KDM4EMEN1
SCHEMBL3536937 0.88 L3MBTL3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1KDM4E
SCHEMBL3537289 0.87 L3MBTL3 (0.54) HRH3L3MBTL3L3MBTL1MBTD1KDM4E
SCHEMBL5414844 0.86 HRH3 (0.84) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3537789 0.85 HRH3 (0.59) HRH3L3MBTL3L3MBTL1LRRK2
SCHEMBL3540953 0.83 CYP2D6 (0.57) HRH3L3MBTL3L3MBTL1MBTD1KDM4E
SCHEMBL3538713 0.82 HRH3 (0.57) HRH3L3MBTL3

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

“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.