SCHEMBL3539890

SCHEMBL3539890

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1cccc(Cl)c1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
HRH3 Q9Y5N1 2/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 3/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
L3MBTL3 Q96JM7 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM1 P11229 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
SCHEMBL3537002 0.93 HPGD (0.51) HPGDHRH3KDM4EALDH1A1CYP2D6
SCHEMBL3537097 0.92 HPGD (0.51) HPGDHRH3KDM4EALDH1A1L3MBTL1
SCHEMBL3542678 0.91 L3MBTL1 (0.54) HPGDHRH3KDM4EALDH1A1CYP2D6
SCHEMBL3535868 0.91 HPGD (0.52) HPGDHRH3KDM4EALDH1A1CYP2D6
SCHEMBL3540408 0.90 HRH3 (0.52) HPGDHRH3KDM4EALDH1A1EPHX2
SCHEMBL3539302 0.86 HRH3 (0.48) HPGDHRH3KDM4EALDH1A1EPHX2
SCHEMBL3538167 0.85 HPGD (0.51) HPGDHRH3ALDH1A1CYP2D6L3MBTL3
SCHEMBL3542180 0.83 L3MBTL3 (0.48) HPGDHRH3ALDH1A1L3MBTL1L3MBTL3
SCHEMBL3538225 0.83 HPGD (0.49) HPGDHRH3CYP2D6CYP2C19L3MBTL3
SCHEMBL3538050 0.82 HRH3 (0.61) HRH3L3MBTL1L3MBTL3

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 HPGD 810/4885HRH3 2/4885KDM4E 1682/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HPGD 810/4885HRH3 2/4885KDM4E 1682/4885

“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.