SCHEMBL470166

SCHEMBL470166

C=Cc1cc(Cl)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 9/20 0.46
TGM2 P21980 9/20 0.46
TGM1 P22735 8/20 0.46
TGM3 Q08188 1/20 0.46
BACE1 P56817 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK8 P45983 1/20 0.43
STS P08842 1/20 0.40
ALK Q9UM73 2/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL459977 0.92 NPY2R (0.38) F13A1TGM2TGM1TGM3BACE1
SCHEMBL470197 0.87 MEN1 (0.47) F13A1TGM2TGM1TGM3BACE1
SCHEMBL457432 0.84 MEN1 (0.51) F13A1TGM2TGM1TGM3BACE1
SCHEMBL463132 0.84 BACE1 (0.49) F13A1TGM2TGM1TGM3BACE1
SCHEMBL458905 0.82 BACE1 (0.46) F13A1TGM2TGM1TGM3BACE1
SCHEMBL470212 0.80 MEN1 (0.51) F13A1TGM2TGM1TGM3BACE1
SCHEMBL470227 0.79 BACE1 (0.47) F13A1TGM2TGM1TGM3BACE1
SCHEMBL458554 0.78 NPY2R (0.42) BACE1MEN1KMT2AMAPK8SMN1; SMN2
SCHEMBL12523337 0.77 NR1H2 (0.45) F13A1TGM2TGM1TGM3BACE1
SCHEMBL458895 0.77 MEN1 (0.57) F13A1TGM2TGM1TGM3MEN1

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 4 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
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
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 F13A1 2437/4885TGM2 4847/4885TGM1 4604/4885

“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.