SCHEMBL615148

SCHEMBL615148

CCOc1ccccc1N1CCN(C(=O)c2cn(CC(=O)NCCNC)c3cc(Cl)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
AVPR1A P37288 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.45
HTT P42858 2/20 0.45
POLB P06746 2/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL615640 0.92 AVPR1A (0.50) MAPTAVPR1AL3MBTL1MAPK1NPSR1
Hydrochloric Acid SCHEMBL615285 0.91 AVPR1A (0.49) MAPTAVPR1AL3MBTL1MAPK1NPSR1
SCHEMBL615197 0.91 AVPR1A (0.60) MAPTAVPR1AL3MBTL1MAPK1NPSR1
SCHEMBL613491 0.90 MAPT (0.53) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL615054 0.87 AVPR1A (0.51) MAPTAVPR1AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL614542 0.87 MAPT (0.53) MAPTAVPR1AL3MBTL1MAPK1NPSR1
SCHEMBL613064 0.85 AVPR1A (0.58) MAPTAVPR1AL3MBTL1MAPK1NPSR1
SCHEMBL615045 0.84 AVPR1A (0.50) MAPTAVPR1AL3MBTL1MAPK1NPSR1
SCHEMBL615572 0.84 AVPR1A (0.59) MAPTAVPR1AL3MBTL1MAPK1NPSR1
Hydrochloric Acid SCHEMBL615026 0.83 AVPR1A (0.49) MAPTAVPR1AL3MBTL1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US claimed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US claimed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US claimed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 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 (3 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MAPT 4078/4885AVPR1A 1/4885L3MBTL1 4343/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MAPT 4078/4885AVPR1A 1/4885L3MBTL1 4343/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR MAPT 4078/4885AVPR1A 1/4885L3MBTL1 4343/4885

“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.