SCHEMBL3388043

SCHEMBL3388043

CC(C)N1CCN(C(=O)c2ccc3c(ccn3[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 2/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
P2RX7 Q99572 1/20 0.39
MGLL Q99685 1/20 0.39
HDAC4 P56524 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
OXTR P30559 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL3388049 1.00 HRH3 (0.43) HRH3MEN1KMT2ACNR2ABL1
SCHEMBL3390407 0.94 HRH3 (0.44) HRH3MEN1KMT2ACNR2ABL1
SCHEMBL3385812 0.85 HRH3 (0.48) HRH3MGLLL3MBTL1L3MBTL3OXTR
SCHEMBL3386129 0.83 HRH3 (0.45) HRH3MEN1KMT2ACNR2ABL1
SCHEMBL3388519 0.81 L3MBTL3 (0.50) MEN1KMT2AABL1RIN1L3MBTL1
SCHEMBL3385995 0.81 L3MBTL3 (0.46) HRH3MEN1KMT2ACNR2MGLL
SCHEMBL3386037 0.81 HRH3 (0.47) HRH3CHRNA7
SCHEMBL3390885 0.81 HRH3 (0.47) HRH3CHRNA7
SCHEMBL3388075 0.81 HRH3 (0.44) HRH3P2RX7MGLLL3MBTL1L3MBTL3
SCHEMBL3385989 0.81 L3MBTL3 (0.46) HRH3MEN1KMT2ACNR2MGLL

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 3 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
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US 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.