SCHEMBL3797978

SCHEMBL3797978

CCC1(Cc2ccccc2)NC(=O)C(Cc2c(C#N)cccc2OC)N(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
MMP9 P14780 2/20 0.32
GFER P55789 1/20 0.32
HSD11B1 P28845 2/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HIF1A Q16665 2/20 0.32
GNRHR P30968 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTT P42858 1/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 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
SCHEMBL3792570 0.93 GRIN1 (0.33) OPRK1ALDH1A1GNRHRHCRTR1HCRTR2
SCHEMBL3796589 0.89 GFER (0.34) MAPTMMP1MMP3MMP9GFER
SCHEMBL3026862 0.87 HSD11B1 (0.35) OPRK1MAPTMMP1MMP3MMP9
SCHEMBL3799072 0.87 GFER (0.33) MMP1MMP3MMP9GFERALDH1A1
SCHEMBL3796563 0.85 GFER (0.32) GFER
SCHEMBL3803171 0.84 DPP4 (0.38) OPRK1MMP1MMP3MMP9GFER
SCHEMBL3796441 0.83 HTR1A (0.36) MAPTGFERALDH1A1NPSR1HTT
SCHEMBL3801727 0.83 KDM4E (0.31) ALDH1A1MEN1KMT2A
SCHEMBL3796137 0.83 GFER (0.33) GFER
SCHEMBL3798243 0.83 MEN1 (0.32) ALDH1A1TSHRMEN1KMT2A

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 8 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
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
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 OPRK1 1144/4885MAPT 4822/4885MMP1 1030/4885

“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.