SCHEMBL3540987

SCHEMBL3540987

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1ccc(N2CCOCC2)nc1)N1CCN(C2CCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.55
ADRA1A P35348 4/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3538050 0.90 HRH3 (0.61) HRH3
SCHEMBL3537218 0.86 HRH3 (0.50) HRH3ADRA1AHPGDKCNH2
SCHEMBL3539302 0.84 HRH3 (0.48) HRH3ADRA1AALDH1A1HPGDKDM4E
SCHEMBL3541616 0.83 HRH3 (0.50) HRH3ADRA1AALDH1A1HPGDKDM4E
SCHEMBL3536426 0.82 HRH3 (0.54) HRH3ALDH1A1HPGDKDM4ELMNA
SCHEMBL3538041 0.81 HRH3 (0.54) HRH3ALDH1A1KDM4EMEN1HTT
SCHEMBL3541563 0.81 HRH3 (0.52) HRH3ALDH1A1KDM4EMEN1HTT
SCHEMBL3536760 0.81 L3MBTL3 (0.48) HRH3ADRA1AHPGDLMNA
SCHEMBL3543978 0.81 HRH3 (0.56) HRH3HPGDMEN1KMT2A
SCHEMBL3538564 0.80 L3MBTL3 (0.47) HRH3ADRA1AALDH1A1HPGDKDM4E

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 2/4885ADRA1A 95/4885ALDH1A1 864/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885ADRA1A 95/4885ALDH1A1 864/4885

“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.