SCHEMBL456852

SCHEMBL456852

CC(C)(C)OC(=O)N1CCN(c2cc(N)c(C#N)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

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 6/20 0.43
MAPK1 P28482 1/20 0.41
RET P07949 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
STS P08842 1/20 0.41
KCNH2 Q12809 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL458298 0.91 NR1H2 (0.48) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL6484817 0.86 SMARCA2 (0.52) NR1H2SMARCA2SMARCA4PBRM1GPR119
SCHEMBL14641224 0.83 CXCR3 (0.40) NR1H2NR1H3GPR119STS
SCHEMBL470198 0.83 MEN1 (0.49) SMARCA2SMARCA4PBRM1GPR119MEN1
SCHEMBL27913472 0.83 MAPK1 (0.47) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL470474 0.82 SMARCA2 (0.48) SMARCA2SMARCA4PBRM1GPR119MEN1
SCHEMBL15938198 0.80 MAPT (0.55) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL30126546 0.80 MAPT (0.55) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL15408887 0.80 SMARCA2 (0.47) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL10058375 0.80 ALDH1A1 (0.52) 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 11 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-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
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 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.