SCHEMBL458534

SCHEMBL458534

CC(C)(C)OC(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
PDK2 Q15119 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NAMPT P43490 1/20 0.50
TSHR P16473 1/20 0.50
ALK Q9UM73 2/20 0.49
GPR119 Q8TDV5 3/20 0.47
CCNK O75909 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCND3 P30281 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46

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
SCHEMBL27913478 0.91 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL30595778 0.88 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL23032404 0.88 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL7235546 0.88 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL457220 0.87 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL30595807 0.85 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL23032760 0.85 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2870698 0.85 ADRB1 (0.49) MAPTSMN1; SMN2ALDH1A1HTTPDK2
SCHEMBL470476 0.84 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL30208188 0.84 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1LMNAMEN1

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 8 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

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 MAPT 4757/4885SMN1; SMN2 4496/4885ALDH1A1 728/4885

“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.