SCHEMBL3390210

SCHEMBL3390210

CC(C)N1CCN(C(=O)c2ccc3c(ccn3C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FEN1 P39748 1/20 0.41
BCHE P06276 1/20 0.39
HTR6 P50406 1/20 0.39
CHEK2 O96017 1/20 0.39
CHRNA7 P36544 2/20 0.39
CNR2 P34972 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
OXTR P30559 1/20 0.38
CYP2C9 P11712 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL3390207 1.00 HRH3 (0.43) HRH3MEN1KMT2AFEN1BCHE
SCHEMBL3390065 1.00 HRH3 (0.43) HRH3MEN1KMT2AFEN1BCHE
SCHEMBL3386129 0.95 HRH3 (0.45) HRH3MEN1KMT2ACNR2ABL1
SCHEMBL3383957 0.90 HRH3 (0.47) HRH3MEN1KMT2ACNR2ABL1
SCHEMBL3386618 0.88 PKM (0.41) HRH3MEN1KMT2AFEN1BCHE
SCHEMBL3386610 0.88 PKM (0.41) HRH3MEN1KMT2AFEN1BCHE
SCHEMBL3386614 0.88 PKM (0.41) HRH3MEN1KMT2AFEN1BCHE
SCHEMBL3388925 0.88 HRH3 (0.45) HRH3CHRNA7OXTR
SCHEMBL3387634 0.86 HRH3 (0.44) HRH3CHRNA7OXTR
SCHEMBL3390259 0.86 OXTR (0.48) HRH3MEN1KMT2ACHRNA7CNR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029534-B1 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
EP-2029534-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US disclosed
WO-2007131907-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-22 WO disclosed
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HOFFMANN-LA ROCHE INC. 2007-11-22 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-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HRH4, HRH2, HRH3 HRH3 3/4885MEN1 1011/4885KMT2A 1043/4885

“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.