SCHEMBL614542

SCHEMBL614542

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
USP2 O75604 2/20 0.48
HSD17B10 Q99714 1/20 0.48
AVPR1A P37288 2/20 0.47
HTT P42858 2/20 0.47
CNR1 P21554 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL613064 0.91 AVPR1A (0.58) MAPTSMN1; SMN2NPSR1TSHRLMNA
SCHEMBL613195 0.91 TACR3 (0.53) MAPTSMN1; SMN2NPSR1TSHRLMNA
SCHEMBL615572 0.90 AVPR1A (0.59) MAPTSMN1; SMN2NPSR1TSHRLMNA
SCHEMBL614946 0.87 AVPR1A (0.57) MAPTSMN1; SMN2NPSR1TSHRLMNA
SCHEMBL613491 0.87 MAPT (0.53) MAPTSMN1; SMN2NPSR1TSHRLMNA
SCHEMBL615148 0.87 MAPT (0.49) MAPTSMN1; SMN2NPSR1TSHRLMNA
SCHEMBL615197 0.85 AVPR1A (0.60) MAPTSMN1; SMN2NPSR1TSHRLMNA
SCHEMBL614773 0.84 SMN1; SMN2 (0.53) MAPTSMN1; SMN2NPSR1TSHRKMT2A
SCHEMBL613571 0.83 AVPR1A (0.59) MAPTSMN1; SMN2NPSR1TSHRLMNA
SCHEMBL612975 0.83 TACR3 (0.52) MAPTSMN1; SMN2NPSR1TSHRLMNA

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 7 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 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-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
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 4078/4885SMN1; SMN2 4271/4885NPSR1 7/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MAPT 4078/4885SMN1; SMN2 4271/4885NPSR1 7/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR MAPT 4078/4885SMN1; SMN2 4271/4885NPSR1 7/4885

“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.