SCHEMBL953667

SCHEMBL953667

O=C(Nc1cnccc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
GSK3B P49841 7/20 0.47
ATR Q13535 4/20 0.43
USP2 O75604 1/20 0.43
ABL1 P00519 1/20 0.43
TSHR P16473 1/20 0.43
RIN1 Q13671 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GPR6 P46095 1/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL953665 1.00 MAPT (0.47) MAPTGSK3BATRUSP2ABL1
SCHEMBL951966 0.90 GPR6 (0.51) MAPTUSP2ABL1TSHRRIN1
SCHEMBL951968 0.90 GPR6 (0.51) MAPTUSP2ABL1TSHRRIN1
SCHEMBL951730 0.89 EBP (0.43) USP2ABL1TSHRRIN1SMN1; SMN2
SCHEMBL951728 0.89 EBP (0.43) USP2ABL1TSHRRIN1SMN1; SMN2
SCHEMBL953898 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2EBPSIGMAR1DRD2
SCHEMBL953897 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2EBPSIGMAR1DRD2
SCHEMBL954119 0.88 EBP (0.42) USP2SMN1; SMN2GPR6EBPSIGMAR1
SCHEMBL954120 0.88 EBP (0.42) USP2SMN1; SMN2GPR6EBPSIGMAR1
SCHEMBL955063 0.86 CHRM1 (0.42) SMN1; SMN2GPR6EBPSIGMAR1DRD2

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
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

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 MAPT 4018/4885GSK3B 4733/4885ATR 863/4885
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 MAPT 2047/4885GSK3B 4764/4885ATR 1974/4885

“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.