SCHEMBL3539043

SCHEMBL3539043

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.51
EPHX2 P34913 2/20 0.46
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.44
PLA2G10 O15496 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TNF P01375 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3542614 0.91 ALDH1A1 (0.50) HRH3EPHX2KMT2APOLBMEN1
SCHEMBL3537346 0.90 KMT2A (0.49) HRH3EPHX2KMT2APOLBMEN1
SCHEMBL3537268 0.90 HRH3 (0.53) HRH3EPHX2CYP2D6KMT2AHPGD
SCHEMBL3541390 0.89 HRH3 (0.46) HRH3EPHX2KMT2APOLBMEN1
SCHEMBL27760264 0.89 EPHX2 (0.45) HRH3EPHX2KMT2APOLBMEN1
SCHEMBL3160897 0.89 EPHX2 (0.45) HRH3EPHX2KMT2APOLBMEN1
SCHEMBL3538048 0.89 HRH3 (0.53) HRH3CYP2D6SMN1; SMN2HPGDALDH1A1
SCHEMBL3538457 0.89 HRH3 (0.53) HRH3CYP2D6KMT2AMEN1HPGD
SCHEMBL3547541 0.89 HRH3 (0.57) HRH3CYP2D6KMT2AMEN1SMN1; SMN2
SCHEMBL3170047 0.88 POLB (0.48) HRH3EPHX2KMT2APOLBMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP claimed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO claimed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 US claimed
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 2/4885EPHX2 2408/4885CYP2D6 482/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885EPHX2 2408/4885CYP2D6 482/4885

“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.