SCHEMBL3796589

SCHEMBL3796589

CCC1(Cc2ccccc2)NC(=O)C(Cc2c(C)cccc2C#N)N(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.34
TSHR P16473 4/20 0.33
HTR7 P34969 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
ELANE P08246 1/20 0.32
KDM4E B2RXH2 4/20 0.31
GAA P10253 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
FPR1 P21462 1/20 0.31
CYP2C19 P33261 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3801727 0.92 KDM4E (0.31) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3799072 0.90 GFER (0.33) GFERTSHRMMP1MMP3MMP9
SCHEMBL3797978 0.89 OPRK1 (0.33) GFERTSHRMMP1MMP3MMP9
SCHEMBL3796563 0.88 GFER (0.32) GFER
SCHEMBL3803171 0.87 DPP4 (0.38) GFERMMP1MMP3MMP9ELANE
SCHEMBL3798384 0.86 GFER (0.35) GFERTSHRHTR7ELANEKDM4E
SCHEMBL3796137 0.86 GFER (0.33) GFERELANE
SCHEMBL3798243 0.84 MEN1 (0.32) TSHRALDH1A1MEN1KMT2A
SCHEMBL3792570 0.82 GRIN1 (0.33) KDM4ETMEM97ALDH1A1
SCHEMBL3800986 0.82 TDP1 (0.35) GFERTSHRMMP1MMP9ELANE

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US claimed
CN-101702907-A Piperazine compounds with a herbicidal action BASF SE 2010-05-05 CN claimed
CN-101677540-A Herbicidally effective composition EIKE HUPE 2010-03-24 CN claimed
CN-101679316-A Piperazine compounds with a herbicidal action BASF SE 2010-03-24 CN claimed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP claimed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US disclosed
CN-101702907-A Piperazine compounds with a herbicidal action BASF SE 2010-05-05 CN disclosed
CN-101677540-A Herbicidally effective composition EIKE HUPE 2010-03-24 CN disclosed
CN-101679316-A Piperazine compounds with a herbicidal action BASF SE 2010-03-24 CN disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP disclosed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO 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 (1 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-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 GFER 708/4885TSHR 462/4885HTR7 2579/4885

“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.