SCHEMBL3537410

SCHEMBL3537410

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3[C@H](C)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.54
CYP2D6 P10635 2/20 0.54
CHRNA7 P36544 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SLC6A4 P31645 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3539327 1.00 HRH3 (0.54) HRH3CYP2D6CHRNA7ADORA2AADORA1
SCHEMBL3537497 1.00 HRH3 (0.54) HRH3CYP2D6CHRNA7ADORA2AADORA1
SCHEMBL3543062 0.89 HRH3 (0.66) HRH3CYP2D6CHRNA7
SCHEMBL3538163 0.88 HRH3 (0.52) HRH3CYP2D6CHRNA7ADORA2AADORA1
SCHEMBL3608659 0.87 HRH3 (0.44) HRH3CYP2D6CHRNA7ADORA2AADORA1
SCHEMBL3541236 0.85 HRH3 (0.62) HRH3CYP2D6CHRNA7SLC6A4
SCHEMBL3545147 0.82 HRH3 (0.51) HRH3CYP2D6
SCHEMBL3538205 0.81 HRH3 (0.47) HRH3CYP2D6CHRNA7ADORA2AADORA1
SCHEMBL3541794 0.80 HRH3 (0.55) HRH3CYP2D6CHRNA7TSHR
SCHEMBL3540219 0.80 HRH3 (0.55) HRH3CYP2D6CHRNA7

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 482/4885CHRNA7 143/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885CYP2D6 482/4885CHRNA7 143/4885

“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.