SCHEMBL470197

SCHEMBL470197

CC(C)(C)OC(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BACE1 P56817 5/20 0.47
MAPK8 P45983 1/20 0.47
STS P08842 1/20 0.45
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL457432 0.91 MEN1 (0.51) MEN1KMT2ABACE1MAPK8STS
SCHEMBL470212 0.91 MEN1 (0.51) MEN1KMT2ABACE1MAPK8STS
SCHEMBL458554 0.90 NPY2R (0.42) MEN1KMT2ABACE1MAPK8SMN1; SMN2
SCHEMBL463132 0.90 BACE1 (0.49) MEN1KMT2ABACE1MAPK8STS
SCHEMBL470227 0.90 BACE1 (0.47) MEN1KMT2ABACE1MAPK8STS
SCHEMBL458905 0.88 BACE1 (0.46) MEN1KMT2ABACE1MAPK8STS
SCHEMBL12523337 0.87 NR1H2 (0.45) MEN1KMT2ABACE1MAPK8F13A1
SCHEMBL470166 0.87 F13A1 (0.46) MEN1KMT2ABACE1MAPK8STS
SCHEMBL458534 0.83 MAPT (0.58) MEN1KMT2AMAPK8SMN1; SMN2MAPT
SCHEMBL458895 0.82 MEN1 (0.57) MEN1KMT2AF13A1TGM2TGM1

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
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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 (1 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 MEN1 3924/4885KMT2A 2465/4885BACE1 3286/4885

“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.