SCHEMBL3538586

SCHEMBL3538586

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3-c2cccc(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
CHRNA7 P36544 1/20 0.39
HTT P42858 2/20 0.39
NTRK1 P04629 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
F10 P00742 1/20 0.38
GABRA5 P31644 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL27739832 0.93 ALDH1A1 (0.43) HRH3ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL3540269 0.90 F10 (0.48) HRH3ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL3538264 0.90 HPGD (0.44) HRH3ALDH1A1HPGDSMN1; SMN2CHRNA7
SCHEMBL3541390 0.89 HRH3 (0.46) HRH3ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL3538457 0.88 HRH3 (0.53) HRH3ALDH1A1TSHRHPGDKMT2A
SCHEMBL3539012 0.87 HRH3 (0.49) HRH3CHRNA7F10CNR2
SCHEMBL3535762 0.87 HRH3 (0.41) HRH3TSHRSMN1; SMN2CHRNA7HTT
SCHEMBL3538813 0.85 HRH3 (0.52) HRH3ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL3534612 0.85 HTT (0.54) HRH3ALDH1A1SMN1; SMN2HTTUSP2
SCHEMBL3543435 0.84 CHRNA7 (0.50) HRH3ALDH1A1TSHRCHRNA7KMT2A

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