SCHEMBL953126

SCHEMBL953126

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
MAPK1 P28482 2/20 0.61
POLB P06746 1/20 0.60
ALDH1A1 P00352 5/20 0.59
MAPT P10636 8/20 0.58
L3MBTL1 Q9Y468 6/20 0.56
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 7/20 0.49
ENPP2 Q13822 3/20 0.49
STS P08842 1/20 0.49
HTT P42858 3/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL4433632 0.91 LMNA (0.74) LMNAMAPK1POLBALDH1A1MAPT
SCHEMBL4443971 0.87 MAPT (0.59) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL30301745 0.86 LMNA (0.69) LMNAMAPK1POLBALDH1A1MAPT
SCHEMBL161334 0.86 LMNA (0.69) LMNAMAPK1POLBALDH1A1MAPT
SCHEMBL16935225 0.86 MAPT (0.58) LMNAMAPK1ALDH1A1MAPTL3MBTL1
SCHEMBL957198 0.86 MAPT (0.61) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL15071215 0.84 MAPT (0.56) LMNAMAPK1ALDH1A1MAPTL3MBTL1
SCHEMBL20495490 0.84 MAPT (0.56) LMNAMAPK1POLBALDH1A1MAPT
SCHEMBL31237055 0.83 MAPT (0.59) LMNAMAPK1ALDH1A1MAPTL3MBTL1
SCHEMBL23293433 0.83 ALDH1A1 (0.65) LMNAMAPK1POLBALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 US disclosed
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-06 US disclosed
US-7807679-B2 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2010-10-05 US disclosed
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2008-03-27 US disclosed
EP-1755396-A1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS Syngeta Participations AG (CH) 2007-02-28 EP disclosed
WO-2005115146-A1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2005-12-08 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 (2 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-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS CHRM1, CHRM5, PRMT5 LMNA 3167/4885MAPK1 2753/4885POLB 3844/4885
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs CHRM1, CHRM2, CHRM5 LMNA 3570/4885MAPK1 2839/4885POLB 3633/4885

“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.