SCHEMBL3158762

SCHEMBL3158762

COC(=O)/C=C/c1ccc(Cl)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GLA P06280 1/20 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
SCHEMBL3158771 1.00 MAPT (0.41) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3164586 0.90 MAPT (0.41) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3164576 0.90 MAPT (0.41) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3178609 0.89 CPT1A (0.44) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3178620 0.89 CPT1A (0.44) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL29950591 0.83 HSP90AA1 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6170617 0.82 MAPT (0.46) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6170611 0.82 MAPT (0.46) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6139345 0.79 HDAC3 (0.43) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3168219 0.79 GRM5 (0.44) MAPTMEN1KMT2AKDM4ETP53

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 MAPT 2279/4885MEN1 3038/4885KMT2A 4287/4885
US-20070196270-A1 Compounds As Ccri Antagonists CCR1, CCR10, CCR4 MAPT 2220/4885MEN1 3157/4885KMT2A 3650/4885

“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.