SCHEMBL951476

SCHEMBL951476

Nc1ccc(F)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
EBP Q15125 1/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DRD2 P14416 3/20 0.41
CYP2D6 P10635 2/20 0.41
HIF1A Q16665 2/20 0.41
OPRM1 P35372 2/20 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
SCHEMBL951475 1.00 SIGMAR1 (0.42) SIGMAR1EBPMAPTMAPK1NPSR1
SCHEMBL3437066 0.90 EBP (0.46) SIGMAR1EBPMAPTMAPK1NPSR1
SCHEMBL953554 0.83 EBP (0.39) SIGMAR1EBPMAPK1LMNAMEN1
SCHEMBL953552 0.83 EBP (0.39) SIGMAR1EBPMAPK1LMNAMEN1
SCHEMBL953298 0.82 SIGMAR1 (0.40) SIGMAR1EBPMAPTMAPK1NPSR1
SCHEMBL953297 0.82 SIGMAR1 (0.40) SIGMAR1EBPMAPTMAPK1NPSR1
SCHEMBL952457 0.81 LMNA (0.48) SIGMAR1EBPMAPTMAPK1ALDH1A1
SCHEMBL952455 0.81 LMNA (0.48) SIGMAR1EBPMAPTMAPK1ALDH1A1
SCHEMBL73628 0.79 CCR3 (0.42) SIGMAR1MAPTMAPK1NPSR1KDM4E
SCHEMBL73627 0.79 CCR3 (0.42) SIGMAR1MAPTMAPK1NPSR1KDM4E

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 SIGMAR1 160/4885EBP 3189/4885MAPT 4018/4885
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 SIGMAR1 259/4885EBP 1998/4885MAPT 2047/4885

“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.