SCHEMBL459977

SCHEMBL459977

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 10/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
TGM3 Q08188 1/20 0.37
BACE1 P56817 2/20 0.35
MAPK8 P45983 1/20 0.35
REV1 Q9UBZ9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RBP4 P02753 1/20 0.34

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
SCHEMBL470166 0.92 F13A1 (0.46) F13A1TGM2TGM1TGM3BACE1
SCHEMBL458554 0.87 NPY2R (0.42) NPY2RBACE1MAPK8REV1MEN1
SCHEMBL459978 0.84 BACE1 (0.41) NPY2RBACE1MAPK8REV1LMNA
SCHEMBL12272881 0.82 ATR (0.41) NPY2RBACE1REV1KMT2ALMNA
SCHEMBL27913497 0.81 NPY2R (0.38) NPY2RBACE1MAPK8REV1MEN1
SCHEMBL470197 0.78 MEN1 (0.47) F13A1TGM2TGM1TGM3BACE1
SCHEMBL27931713 0.77 NPY2R (0.48) NPY2RMEN1KMT2A
SCHEMBL457432 0.76 MEN1 (0.51) F13A1TGM2TGM1TGM3BACE1
SCHEMBL27913478 0.76 MAPT (0.52) NPY2RMEN1KMT2ALMNAMAPK1
SCHEMBL463132 0.75 BACE1 (0.49) F13A1TGM2TGM1TGM3BACE1

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 6 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-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
CN-103201268-A Novel piperazine analogs as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-10 CN 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 NPY2R 336/4885F13A1 2437/4885TGM2 4847/4885

“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.