SCHEMBL3389448

SCHEMBL3389448

CC(C)(C)OC(=O)N1CCC(Cn2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
CNR2 P34972 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
PKM P14618 1/20 0.41
OXTR P30559 1/20 0.41

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
SCHEMBL3391005 0.95 HRH3 (0.43) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3386618 0.91 PKM (0.41) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3386610 0.91 PKM (0.41) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3386614 0.91 PKM (0.41) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3383957 0.87 HRH3 (0.47) L3MBTL1MEN1KMT2AALDH1A1HRH3
SCHEMBL3387045 0.86 OXTR (0.50) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3387650 0.86 OXTR (0.50) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3387054 0.86 OXTR (0.50) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3388519 0.85 L3MBTL3 (0.50) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3388526 0.85 HRH3 (0.46) L3MBTL3L3MBTL1MEN1KMT2AALDH1A1

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 6 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
CN-101443311-A 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN LA ROCHE (CH) 2009-05-27 CN 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 L3MBTL3 4279/4885L3MBTL1 4407/4885MEN1 1011/4885

“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.