SCHEMBL953955

SCHEMBL953955

O=C(Nc1ccc(Cl)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MCHR1 Q99705 1/20 0.41
LMNA P02545 2/20 0.40
GPR6 P46095 1/20 0.40
USP2 O75604 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
SRPK1 Q96SB4 1/20 0.39
CHRM1 P11229 1/20 0.39
DHCR7 Q9UBM7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL953952 1.00 EBP (0.41) EBPSIGMAR1MCHR1LMNAGPR6
SCHEMBL951728 0.91 EBP (0.43) EBPSIGMAR1MCHR1LMNAGPR6
SCHEMBL951730 0.91 EBP (0.43) EBPSIGMAR1MCHR1LMNAGPR6
SCHEMBL952590 0.88 DRD2 (0.48) EBPSIGMAR1MCHR1LMNAGPR6
SCHEMBL952589 0.88 DRD2 (0.48) EBPSIGMAR1MCHR1LMNAGPR6
SCHEMBL952867 0.88 DRD2 (0.41) EBPSIGMAR1LMNADRD2DRD3
SCHEMBL952869 0.88 DRD2 (0.41) EBPSIGMAR1LMNADRD2DRD3
SCHEMBL952443 0.87 EBP (0.51) EBPSIGMAR1MCHR1LMNAUSP2
SCHEMBL952446 0.87 EBP (0.51) EBPSIGMAR1MCHR1LMNAUSP2
SCHEMBL953013 0.86 SRPK1 (0.44) DRD2DRD3SRPK1CHRM1

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 EBP 3189/4885SIGMAR1 160/4885MCHR1 408/4885
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 EBP 1998/4885SIGMAR1 259/4885MCHR1 457/4885

“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.