SCHEMBL3947809

SCHEMBL3947809

O=C(c1cccc2[nH]ccc12)N1CCN(C2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.62
MAPK14 Q16539 1/20 0.59
CCR3 P51677 1/20 0.58
CHRM2 P08172 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 3/20 0.51
L3MBTL3 Q96JM7 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TP53BP1 Q12888 2/20 0.50
CNR2 P34972 2/20 0.50
MBTD1 Q05BQ5 1/20 0.50
CCR5 P51681 1/20 0.50
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL2216397 0.83 MAPK14 (0.64) MGLLMAPK14CCR3CHRM2CNR2
SCHEMBL8445412 0.82 KMT2A (0.69) MAPK14CHRM2SMN1; SMN2MEN1KMT2A
SCHEMBL3210544 0.80 MAPK14 (0.65) MGLLMAPK14L3MBTL1CCR5GAA
SCHEMBL13825981 0.78 CHRM2 (0.57) MGLLMAPK14CCR3CHRM2CNR2
SCHEMBL3944989 0.78 CHRM2 (0.58) CHRM2SMN1; SMN2HRH3L3MBTL3L3MBTL1
SCHEMBL27787032 0.78 CCR3 (0.49) MGLLMAPK14CCR3CHRM2HRH3
SCHEMBL2036317 0.78 MAPK14 (0.62) MGLLMAPK14CCR3SMN1; SMN2MEN1
SCHEMBL16002958 0.78 MAPK14 (0.56) MGLLMAPK14CCR3CHRM2CNR2
SCHEMBL30294873 0.77 MGLL (1.00) MGLL
SCHEMBL21121265 0.77 MGLL (1.00) MGLL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605757-A Be used for (indoles-4-yl) of obesity treatment-or (indoles-5-yl)-piperazinyl methanone derivatives HOFFMANN LA ROCHE (CH) 2009-12-16 CN disclosed
EP-2118057-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US disclosed
WO-2008095820-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
WO-2008095820-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 US disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 US disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES HRH4, HRH3, H1-3 MGLL 4213/4885MAPK14 3325/4885CCR3 1260/4885

“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.