SCHEMBL463132

SCHEMBL463132

CC(C)(C)OC(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.49
MAPK8 P45983 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GPR119 Q8TDV5 1/20 0.43
STS P08842 1/20 0.42
LMNA P02545 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
TGM3 Q08188 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.40
NAMPT P43490 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
SCHEMBL470227 0.91 BACE1 (0.47) BACE1MAPK8MEN1KMT2AGPR119
SCHEMBL459978 0.91 BACE1 (0.41) BACE1MAPK8LMNAMAPTNPSR1
SCHEMBL470197 0.90 MEN1 (0.47) BACE1MAPK8MEN1KMT2AGPR119
SCHEMBL457432 0.87 MEN1 (0.51) BACE1MAPK8MEN1KMT2AGPR119
SCHEMBL458905 0.84 BACE1 (0.46) BACE1MAPK8MEN1KMT2ASTS
SCHEMBL470166 0.84 F13A1 (0.46) BACE1MAPK8MEN1KMT2ASTS
SCHEMBL29796094 0.83 BACE1 (0.48) BACE1MAPK8MEN1KMT2AGPR119
SCHEMBL470218 0.83 BACE1 (0.48) BACE1MAPK8MEN1KMT2AGPR119
SCHEMBL470212 0.83 MEN1 (0.51) BACE1MAPK8MEN1KMT2ASTS
SCHEMBL470474 0.81 SMARCA2 (0.48) BACE1MAPK8MEN1KMT2AGPR119

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 9 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
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 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
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 BACE1 3286/4885MAPK8 4072/4885MEN1 3924/4885

“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.