SCHEMBL3538466

SCHEMBL3538466

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC4(CC2)OCCO4)n3-c2ccnc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.46
ALDH1A1 P00352 7/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HRH3 Q9Y5N1 6/20 0.45
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL3537168 0.90 HRH3 (0.55) HPGDHRH3CHRNA7
SCHEMBL3543802 0.88 HPGD (0.52) HPGDALDH1A1TSHRKMT2AMEN1
SCHEMBL3174359 0.87 HRH3 (0.43) KMT2AMEN1HRH3CHRNA7
SCHEMBL3167033 0.87 HRH3 (0.43) HRH3CHRNA7
SCHEMBL3173471 0.86 HRH3 (0.42) HRH3CHRNA7
SCHEMBL3539521 0.85 HRH3 (0.42) HRH3CHRNA7
SCHEMBL3160492 0.85 CHRNA7 (0.46) HPGDHRH3CHRNA7
SCHEMBL3174819 0.85 HRH3 (0.42) HRH3MAPK1CHRNA7
SCHEMBL3160029 0.84 HRH3 (0.45) HRH3CHRNA7
SCHEMBL3174684 0.84 HRH3 (0.41) 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 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 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.