SCHEMBL3386129

SCHEMBL3386129

CC(C)N1CCN(C(=O)c2ccc3c(ccn3CC3CCN(C(=O)OC(C)(C)C)C3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.45
CNR2 P34972 3/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
OXTR P30559 1/20 0.37
CNR1 P21554 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
SCHEMBL3390207 0.95 HRH3 (0.43) HRH3CNR2KMT2AMEN1ABL1
SCHEMBL3390210 0.95 HRH3 (0.43) HRH3CNR2KMT2AMEN1ABL1
SCHEMBL3390065 0.95 HRH3 (0.43) HRH3CNR2KMT2AMEN1ABL1
SCHEMBL3383957 0.95 HRH3 (0.47) HRH3CNR2KMT2AMEN1ABL1
SCHEMBL3391005 0.87 HRH3 (0.43) HRH3CNR2KMT2AMEN1PKM
SCHEMBL3388045 0.85 HRH3 (0.52) HRH3CNR2OXTRCNR1
SCHEMBL3387949 0.84 OXTR (0.48) HRH3CNR2KMT2AMEN1OXTR
SCHEMBL3390259 0.84 OXTR (0.48) HRH3CNR2KMT2AMEN1OXTR
SCHEMBL3388801 0.84 OXTR (0.48) HRH3CNR2KMT2AMEN1OXTR
SCHEMBL3388049 0.83 HRH3 (0.43) HRH3CNR2KMT2AMEN1ABL1

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 3/4885CNR2 30/4885KMT2A 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.