SCHEMBL3543802

SCHEMBL3543802

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC4(CC2)OCCO4)n3-c2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.52
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.51
HRH3 Q9Y5N1 3/20 0.46
F10 P00742 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.43
SLC6A4 P31645 1/20 0.41
CHRNA7 P36544 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
SCHEMBL3547541 0.90 HRH3 (0.57) HPGDALDH1A1TSHRHRH3F10
SCHEMBL3542614 0.89 ALDH1A1 (0.50) HPGDALDH1A1TSHRHRH3MEN1
SCHEMBL3538466 0.88 HPGD (0.46) HPGDALDH1A1TSHRHRH3MEN1
SCHEMBL3165642 0.86 F10 (0.49) HPGDALDH1A1TSHRHRH3F10
SCHEMBL27760262 0.84 F10 (0.48) HPGDALDH1A1TSHRHRH3F10
SCHEMBL3170756 0.84 HPGD (0.55) HPGDALDH1A1HRH3F10MEN1
SCHEMBL3166530 0.84 F10 (0.48) HPGDALDH1A1TSHRHRH3F10
SCHEMBL3540269 0.84 F10 (0.48) HPGDALDH1A1TSHRHRH3F10
SCHEMBL3166092 0.83 F10 (0.51) HPGDALDH1A1TSHRHRH3F10
SCHEMBL3167059 0.83 F10 (0.47) HPGDALDH1A1TSHRHRH3F10

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 HPGD 810/4885ALDH1A1 864/4885TSHR 101/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HPGD 810/4885ALDH1A1 864/4885TSHR 101/4885

“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.