SCHEMBL3170258

SCHEMBL3170258

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)N4CCCCC4)CC2)n3-c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.43
EPHX2 P34913 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PLA2G10 O15496 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
SCHEMBL3160897 0.92 EPHX2 (0.45) TP53HPGDALDH1A1POLBLMNA
SCHEMBL3160405 0.89 HPGD (0.50) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3537346 0.87 KMT2A (0.49) HPGDALDH1A1POLBLMNAKMT2A
SCHEMBL3539043 0.86 HRH3 (0.51) HPGDALDH1A1POLBLMNAKMT2A
SCHEMBL27760264 0.85 EPHX2 (0.45) HPGDALDH1A1POLBLMNAKMT2A
SCHEMBL3541390 0.85 HRH3 (0.46) HPGDALDH1A1POLBLMNAKMT2A
SCHEMBL3170047 0.85 POLB (0.48) HPGDALDH1A1POLBLMNAKMT2A
SCHEMBL3537495 0.83 HRH3 (0.51) HPGDALDH1A1POLBKMT2AEPHX2
SCHEMBL3542614 0.82 ALDH1A1 (0.50) HPGDALDH1A1POLBLMNAKMT2A
SCHEMBL3170622 0.82 KMT2A (0.42) HPGDALDH1A1LMNAKMT2AMEN1

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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 TP53 4124/4885HPGD 659/4885ALDH1A1 577/4885

“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.