SCHEMBL3390259

SCHEMBL3390259

CC(C)N1CCN(C(=O)c2ccc3c(ccn3C[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.48
HRH3 Q9Y5N1 10/20 0.42
IL1B P01584 2/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.38
CHRNA7 P36544 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
SCHEMBL3387949 1.00 OXTR (0.48) OXTRHRH3IL1BP2RX7MEN1
SCHEMBL3388801 1.00 OXTR (0.48) OXTRHRH3IL1BP2RX7MEN1
SCHEMBL3390200 0.89 HRH3 (0.42) OXTRHRH3CNR2CHRNA7
SCHEMBL3387650 0.88 OXTR (0.50) OXTRHRH3MEN1KMT2A
SCHEMBL3387054 0.88 OXTR (0.50) OXTRHRH3MEN1KMT2A
SCHEMBL3387045 0.88 OXTR (0.50) OXTRHRH3MEN1KMT2A
SCHEMBL3390065 0.86 HRH3 (0.43) OXTRHRH3MEN1KMT2ACNR2
SCHEMBL3390210 0.86 HRH3 (0.43) OXTRHRH3MEN1KMT2ACNR2
SCHEMBL3390207 0.86 HRH3 (0.43) OXTRHRH3MEN1KMT2ACNR2
SCHEMBL3383957 0.85 HRH3 (0.47) HRH3MEN1KMT2ACNR2

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 OXTR 368/4885HRH3 3/4885IL1B 1439/4885

“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.