SCHEMBL458298

SCHEMBL458298

CC(C)(C)OC(=O)N1CCN(c2cc(N)c(Cl)cc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
GPR119 Q8TDV5 5/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RET P07949 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 1/20 0.41
EGLN2 Q96KS0 1/20 0.41

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
SCHEMBL456852 0.91 NR1H2 (0.48) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL12523340 0.84 SMARCA2 (0.44) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL456801 0.83 MAPT (0.55) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL27931667 0.83 LMNA (0.43) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL12523337 0.82 NR1H2 (0.45) NR1H2NR1H3GPR119LMNAALDH1A1
SCHEMBL29665264 0.82 MAPT (0.54) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL652725 0.82 MEN1 (0.52) NR1H2NR1H3GPR119LMNAALDH1A1
SCHEMBL594432 0.82 MAPT (0.54) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL6484817 0.81 SMARCA2 (0.52) NR1H2SMARCA2SMARCA4PBRM1GPR119
SCHEMBL15408887 0.80 SMARCA2 (0.47) NR1H2NR1H3SMARCA2SMARCA4PBRM1

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 5 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
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 NR1H2 254/4885NR1H3 302/4885SMARCA2 2491/4885

“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.