SCHEMBL952678

SCHEMBL952678

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2NC(=O)c2ccnc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 1/20 0.46
GPR6 P46095 2/20 0.45
BACE1 P56817 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
STS P08842 1/20 0.44
TSHR P16473 3/20 0.43
MAPT P10636 3/20 0.43
IDE P14735 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 3/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43

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
SCHEMBL955829 0.89 GPR6 (0.52) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL957292 0.86 MEN1 (0.43) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL955612 0.85 HTT (0.50) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL952414 0.79 F10 (0.50) MEN1KMT2AGPR6
SCHEMBL6179731 0.79 MEN1 (0.61) MEN1KMT2ASMN1; SMN2STSPOLB
Trifluoroacetic Acid SCHEMBL953656 0.77 F10 (0.45) MEN1KMT2ABACE1
SCHEMBL74671 0.77 POLB (0.45) NPSR1MAPTPOLBKDM4E
SCHEMBL2682211 0.76 GPR119 (0.44) MEN1KMT2ASTSMAPTPOLB
SCHEMBL4184500 0.76 DYRK2 (0.41) MAPT
SCHEMBL1432796 0.76 POLB (0.53) MEN1KMT2ASMN1; SMN2NPSR1HTT

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 MEN1 3554/4885KMT2A 1508/4885SMN1; SMN2 1131/4885
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 MEN1 4330/4885KMT2A 842/4885SMN1; SMN2 2141/4885

“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.