SCHEMBL3170227

SCHEMBL3170227

CCOC(=O)c1cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc2n1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CNR2 P34972 1/20 0.45
ATM Q13315 1/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3160789 0.94 KMT2A (0.50) MEN1KMT2ACNR2ALDH1A1POLB
SCHEMBL3174857 0.88 KMT2A (0.54) MEN1KMT2ACNR2ALDH1A1LMNA
SCHEMBL3544898 0.84 KMT2A (0.50) MEN1KMT2ACNR2ABL1RIN1
SCHEMBL3169780 0.84 KMT2A (0.50) MEN1KMT2ACNR2ALDH1A1LMNA
SCHEMBL3541817 0.84 HRH3 (0.53) MEN1KMT2ACNR2ABL1RIN1
SCHEMBL3546171 0.84 KMT2A (0.49) MEN1KMT2ACNR2ALDH1A1LMNA
SCHEMBL3160554 0.83 KMT2A (0.48) MEN1KMT2ACNR2ALDH1A1GAA
SCHEMBL3160773 0.82 CHRNA7 (0.48) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL3160356 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL3534607 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1POLBHPGD

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 10 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-7648979-B2 5-amido-(1H-indol-2-yl)-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-19 US disclosed
EP-2118059-A1 5 -AMIDO- (IH- INDOL- 2 -YL) PIPERAZIN-1-YL-METHANONE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS F. Hoffmann-Roche AG (CH) 2009-11-18 EP 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-2008095823-A1 5 -AMIDO- (IH- INDOL- 2 -YL) PIPERAZIN-1-YL-METHANONE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US 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 (3 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 MEN1 1757/4885KMT2A 512/4885CNR2 3/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 MEN1 1757/4885KMT2A 512/4885CNR2 3/4885
US-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 MEN1 1317/4885KMT2A 820/4885CNR2 31/4885

“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.