SCHEMBL3178609

SCHEMBL3178609

CC(C)(C)OC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
MAPT P10636 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
LMNA P02545 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL3178620 1.00 CPT1A (0.44) CPT1ACPT1BMAPTPLA2G1BATG4B
SCHEMBL3168231 0.90 GRM5 (0.44) CPT1ACPT1BMAPTPLA2G1BATG4B
SCHEMBL3168219 0.90 GRM5 (0.44) CPT1ACPT1BMAPTPLA2G1BATG4B
SCHEMBL3158771 0.89 MAPT (0.41) MAPTHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL3158762 0.89 MAPT (0.41) MAPTHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL29950591 0.84 HSP90AA1 (0.43) MAPTHSP90AA1HSP90AB1ADORA3ADORA2B
SCHEMBL8121187 0.82 KMT2A (0.47) CPT1ACPT1BMAPTPLA2G1BATG4B
SCHEMBL8121188 0.82 KMT2A (0.47) CPT1ACPT1BMAPTPLA2G1BATG4B
SCHEMBL8953420 0.81 CA1 (0.45) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL16816111 0.81 CA1 (0.45) MAPTLMNAMEN1KMT2ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
EP-1794164-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCR1 ANTAGONISTS Novartis AG (CH) 2007-06-13 EP disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 US disclosed
WO-2005103054-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCRI ANTAGONISTS NOVARTIS AG (CH) 2005-11-03 WO disclosed
EP-1558594-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES Novartis AG (CH) 2005-08-03 EP disclosed
WO-2004037796-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES NOVARTIS AG (CH) 2004-05-06 WO 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-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives CCR1, CCR3, CCR4 CPT1A 1530/4885CPT1B 1501/4885MAPT 2279/4885
US-20070196270-A1 Compounds As Ccri Antagonists CCR1, CCR10, CCR4 CPT1A 2068/4885CPT1B 1539/4885MAPT 2220/4885

“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.