SCHEMBL3390463

SCHEMBL3390463

O=C(c1ccc2[nH]ccc2c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.59
CHRM2 P08172 1/20 0.58
L3MBTL3 Q96JM7 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK14 Q16539 1/20 0.58
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GPR183 P32249 1/20 0.54
OXTR P30559 1/20 0.53
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL3388512 0.97 CCR3 (0.59) CCR3CHRM2L3MBTL3L3MBTL1MAPK14
SCHEMBL3455562 0.90 L3MBTL3 (0.71) CCR3CHRM2L3MBTL3L3MBTL1OXTR
SCHEMBL3388617 0.84 DRD2 (0.52) CCR3CHRM2L3MBTL3L3MBTL1MAPK14
SCHEMBL22216445 0.84 MAPK14 (0.64) CCR3CHRM2L3MBTL1MAPK14MAPT
SCHEMBL30226931 0.84 MAPK14 (0.64) CCR3MAPK14ALDH1A1HPGDGPR183
SCHEMBL30329646 0.84 MAPK14 (0.64) CCR3CHRM2L3MBTL1MAPK14MAPT
SCHEMBL8534513 0.84 MAPK14 (0.64) CCR3MAPK14ALDH1A1HPGDGPR183
SCHEMBL3388040 0.83 DRD2 (0.49) CCR3CHRM2L3MBTL3L3MBTL1MAPK14
SCHEMBL2214616 0.83 MAPK14 (0.63) CCR3MAPK14ALDH1A1HPGDGPR183
SCHEMBL3457123 0.83 MAPK14 (0.63) CCR3MAPK14ALDH1A1HPGDGPR183

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 15 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-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
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-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
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 (2 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 CCR3 1260/4885CHRM2 30/4885L3MBTL3 1921/4885
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HRH4, HRH2, HRH3 CCR3 953/4885CHRM2 64/4885L3MBTL3 4279/4885

“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.