SCHEMBL3537401

SCHEMBL3537401

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC4(CC2)OCCO4)n3CC(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.57
HPGD P15428 5/20 0.45
GAA P10253 1/20 0.45
CHRNA7 P36544 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL3543930 0.90 HRH3 (0.69) HRH3CHRNA7
SCHEMBL3539379 0.88 HRH3 (0.71) HRH3CHRNA7KMT2A
SCHEMBL3540110 0.86 HRH3 (0.46) HRH3HPGDGAACHRNA7ALDH1A1
SCHEMBL3541058 0.84 HRH3 (0.70) HRH3CHRNA7
SCHEMBL3165961 0.83 HRH3 (0.56) HRH3GAACHRNA7ALDH1A1
SCHEMBL3538141 0.81 HRH3 (0.63) HRH3
SCHEMBL3167053 0.81 HRH3 (0.54) HRH3CHRNA7MEN1KMT2A
SCHEMBL3542614 0.80 ALDH1A1 (0.50) HRH3HPGDGAAALDH1A1TSHR
SCHEMBL3543802 0.78 HPGD (0.52) HRH3HPGDGAACHRNA7ALDH1A1
SCHEMBL3166140 0.77 HRH3 (0.55) HRH3CHRNA7

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 HRH3 2/4885HPGD 810/4885GAA 2446/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HPGD 810/4885GAA 2446/4885

“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.