SCHEMBL954024

SCHEMBL954024

O=C(Nc1cc(Cl)cnc1N1CCN(CC=Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.44
CXCR3 P49682 1/20 0.41
ABL1 P00519 12/20 0.40
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 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
SCHEMBL954022 1.00 GPR6 (0.44) GPR6CXCR3ABL1MCHR1KMT2A
SCHEMBL952494 0.91 KMT2A (0.42) GPR6CXCR3ABL1MCHR1KMT2A
SCHEMBL952493 0.91 KMT2A (0.42) GPR6CXCR3ABL1MCHR1KMT2A
SCHEMBL953564 0.90 CXCR3 (0.42) CXCR3KMT2A
SCHEMBL953562 0.90 CXCR3 (0.42) CXCR3KMT2A
SCHEMBL955312 0.90 SMN1; SMN2 (0.42) CXCR3MCHR1
SCHEMBL955311 0.90 SMN1; SMN2 (0.42) CXCR3MCHR1
SCHEMBL954091 0.89 MCHR1 (0.40) GPR6ABL1MCHR1KMT2AKCNH2
SCHEMBL954094 0.89 MCHR1 (0.40) GPR6ABL1MCHR1KMT2AKCNH2
SCHEMBL952075 0.87 KDM4E (0.43) ABL1MCHR1KMT2AGSK3AGSK3B

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 GPR6 2382/4885CXCR3 3853/4885ABL1 2471/4885
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 2133/4885CXCR3 3203/4885ABL1 1592/4885

“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.