SCHEMBL613491

SCHEMBL613491

CCOc1ccccc1N1CCN(C(=O)c2cn(CCNC)c3cc(Cl)ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
HTT P42858 2/20 0.47
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR1 P21554 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL615550 0.91 TACR3 (0.51) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL615148 0.90 MAPT (0.49) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL614946 0.88 AVPR1A (0.57) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL614542 0.87 MAPT (0.53) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL615572 0.86 AVPR1A (0.59) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL613064 0.85 AVPR1A (0.58) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL615197 0.83 AVPR1A (0.60) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL615640 0.81 AVPR1A (0.50) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL613508 0.81 TACR3 (0.52) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL615285 0.80 AVPR1A (0.49) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2

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 16 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
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 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-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
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 4078/4885L3MBTL1 4343/4885MAPK1 3372/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MAPT 4078/4885L3MBTL1 4343/4885MAPK1 3372/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR MAPT 4078/4885L3MBTL1 4343/4885MAPK1 3372/4885

“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.