SCHEMBL461827

SCHEMBL461827

COC(=O)c1ccc(N2CCN(C(=O)O)CC2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 5/20 0.48
HTR6 P50406 2/20 0.47
GAA P10253 4/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
SIRT6 Q8N6T7 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
SCHEMBL470476 0.91 MAPT (0.49) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL458661 0.88 HTR6 (0.45) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL27913478 0.84 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL12272881 0.81 ATR (0.41) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL27913906 0.81 MAPT (0.39) MAPTSMN1; SMN2CYP2C19ALDH1A1KMT2A
SCHEMBL24379384 0.76 MAPT (0.55) MAPTSMN1; SMN2CYP2C19ALDH1A1KMT2A
SCHEMBL18300991 0.76 MAPT (0.52) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL25330719 0.76 MAPT (0.46) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL30195159 0.76 MAPT (0.50) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL457220 0.76 MAPT (0.52) MAPTSMN1; SMN2CYP2C19ALDH1A1KMT2A

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
CN-103201268-B As the novel piperazine analogue of wide spectrum influenza virus medicine BRISTOL-MYERS SQUIBB CO. (US) 2015-08-12 CN disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 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

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 4496/4885CYP1A2 287/4885

“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.