SCHEMBL955402

SCHEMBL955402

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2N)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMARCA2 P51531 1/20 0.53
SMARCA4 P51532 1/20 0.53
PBRM1 Q86U86 1/20 0.53
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
STS P08842 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46
MAP4K4 O95819 1/20 0.46
DPP4 P27487 1/20 0.46
POLB P06746 1/20 0.45
ADK P55263 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL4439802 0.90 POLB (0.57) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL20657938 0.85 MEN1 (0.55) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL4566835 0.85 SMARCA2 (0.54) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL7049612 0.85 MEN1 (0.55) NR1H4MEN1KMT2ASMARCA2SMARCA4
SCHEMBL12516958 0.85 SMARCA2 (0.57) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL161275 0.85 MEN1 (0.59) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL2365793 0.85 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1STS
SCHEMBL30208133 0.85 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1STS
SCHEMBL23435151 0.83 MEN1 (0.60) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL30335739 0.83 MEN1 (0.60) MEN1KMT2ASMARCA2SMARCA4PBRM1

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 10 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
CN-1976586-B Piperazine derivatives and their use for controlling pests SYNGENTA PARTICIPATIONS AG 2014-06-25 CN disclosed
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
CN-103734137-A Piperazin derivatives and their use in controlling pests SYNGENTA PARTICIPATIONS AG 2014-04-23 CN 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
CN-1976586-A Piperazine derivatives and their use for controlling pests SYNGENTA PARTICIPATIONS AG (CH) 2007-06-06 CN 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 NR1H4 3843/4885MEN1 3554/4885KMT2A 1508/4885
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 NR1H4 2587/4885MEN1 4330/4885KMT2A 842/4885

“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.