SCHEMBL955829

SCHEMBL955829

CC(C)(C)OC(=O)N1CCN(c2ccccc2NC(=O)c2ccnc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
BACE1 P56817 2/20 0.51
NPSR1 Q6W5P4 8/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 6/20 0.50
USP2 O75604 4/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL952678 0.89 MEN1 (0.47) GPR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL957292 0.83 MEN1 (0.43) BACE1NPSR1MEN1KMT2ATSHR
SCHEMBL74671 0.81 POLB (0.45) NPSR1KDM4EPOLBMAPT
SCHEMBL953412 0.80 GPR6 (0.48) GPR6MEN1KMT2ATSHRPOLB
SCHEMBL6179731 0.80 MEN1 (0.61) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL17491558 0.77 NAMPT (0.52) BACE1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL23379735 0.77 ALDH1A1 (0.55) BACE1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL1432796 0.76 POLB (0.53) NPSR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL433153 0.76 ANO1 (0.39) MAPT
SCHEMBL807133 0.75 BACE1 (0.59) BACE1

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 GPR6 2382/4885CYP1A2 432/4885CYP3A4 2307/4885
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 GPR6 2133/4885CYP1A2 660/4885CYP3A4 2210/4885

“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.