SCHEMBL957522

SCHEMBL957522

O=C(Nc1cc(F)c(Cl)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
WDR5 P61964 1/20 0.38
GPR6 P46095 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
DHCR7 Q9UBM7 1/20 0.38

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
SCHEMBL957519 1.00 CHRM1 (0.41) CHRM1EBPSIGMAR1DRD2DRD3
SCHEMBL955064 0.95 CHRM1 (0.42) CHRM1EBPSIGMAR1DRD2DRD3
SCHEMBL955063 0.95 CHRM1 (0.42) CHRM1EBPSIGMAR1DRD2DRD3
SCHEMBL954119 0.93 EBP (0.42) EBPSIGMAR1DRD2DRD3LMNA
SCHEMBL954120 0.93 EBP (0.42) EBPSIGMAR1DRD2DRD3LMNA
SCHEMBL953898 0.90 SMN1; SMN2 (0.46) CHRM1EBPSIGMAR1DRD2DRD3
SCHEMBL953897 0.90 SMN1; SMN2 (0.46) CHRM1EBPSIGMAR1DRD2DRD3
SCHEMBL953744 0.90 XPO1 (0.42) CHRM1EBPSIGMAR1DRD2DRD3
SCHEMBL953747 0.90 XPO1 (0.42) CHRM1EBPSIGMAR1DRD2DRD3
SCHEMBL952867 0.89 DRD2 (0.41) EBPSIGMAR1DRD2DRD3LMNA

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 CHRM1 1/4885EBP 3189/4885SIGMAR1 160/4885
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 CHRM1 1/4885EBP 1998/4885SIGMAR1 259/4885

“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.