SCHEMBL953312

SCHEMBL953312

CN(C(=O)c1ccnc(Cl)c1)c1ccccc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
NSD2 O96028 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL953310 1.00 GPR6 (0.46) GPR6SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL953822 0.92 EBP (0.41) GPR6SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL953823 0.92 EBP (0.41) GPR6SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL954087 0.89 EBP (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTNSD2
SCHEMBL952465 0.89 EBP (0.39) GPR6SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL952467 0.89 EBP (0.39) GPR6SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL954089 0.89 EBP (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTNSD2
SCHEMBL954009 0.85 EBP (0.40) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL954010 0.85 EBP (0.40) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL951966 0.81 GPR6 (0.51) GPR6SMN1; SMN2ALDH1A1KDM4EMAPT

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 2382/4885SMN1; SMN2 1131/4885ALDH1A1 352/4885
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 2133/4885SMN1; SMN2 2141/4885ALDH1A1 290/4885

“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.