SCHEMBL3390407

SCHEMBL3390407

CC(C)N1CCN(C(=O)c2ccc3c(ccn3C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
CNR2 P34972 1/20 0.42
HDAC4 P56524 1/20 0.41
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 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
SCHEMBL3388049 0.94 HRH3 (0.43) HRH3KMT2AMEN1ABL1RIN1
SCHEMBL3388043 0.94 HRH3 (0.43) HRH3KMT2AMEN1ABL1RIN1
SCHEMBL3388519 0.87 L3MBTL3 (0.50) KMT2AMEN1ABL1RIN1ALDH1A1
SCHEMBL3383957 0.84 HRH3 (0.47) HRH3KMT2AMEN1ABL1RIN1
SCHEMBL17092750 0.84 KMT2A (0.46) KMT2AMEN1HDAC4MAPTGPR119
SCHEMBL3385812 0.83 HRH3 (0.48) HRH3L3MBTL1
SCHEMBL17092719 0.82 GPR119 (0.45) KMT2AABL1RIN1HDAC4ALDH1A1
SCHEMBL3386129 0.81 HRH3 (0.45) HRH3KMT2AMEN1ABL1RIN1
SCHEMBL3383875 0.81 DRD2 (0.52) HRH3KMT2AMEN1CNR2ALDH1A1
SCHEMBL3391216 0.81 HRH3 (0.49) HRH3

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 HRH3 3/4885KMT2A 1043/4885MEN1 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.