SCHEMBL3798384

SCHEMBL3798384

Cc1cccc(C#N)c1CC1C(=O)NC(C)(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.35
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
FPR1 P21462 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 3/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TACR1 P25103 1/20 0.31
ELANE P08246 1/20 0.31
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL3804527 0.91 KDM4E (0.32) KDM4EHTR7ALDH1A1HSD17B10
SCHEMBL3022334 0.90 GFER (0.34) GFERKDM4EELANE
SCHEMBL3026862 0.88 HSD11B1 (0.35) GFERALDH1A1L3MBTL1TSHR
SCHEMBL3792296 0.88 GFER (0.33) GFER
SCHEMBL3031573 0.86 DPP4 (0.39) GFERKDM4EALDH1A1TSHRHPGD
SCHEMBL3796589 0.86 GFER (0.34) GFERKDM4EGAACYP2D6CYP2C9
SCHEMBL3025212 0.85 GFER (0.34) GFERKDM4E
SCHEMBL3021942 0.83 MEN1 (0.33) HTR7
SCHEMBL3805003 0.82 HTR7 (0.32) KDM4EGAACYP2D6CYP2C9FPR1
SCHEMBL3021985 0.81 AR (0.33) KDM4EHTR7ALDH1A1TACR1

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-101679316-A Piperazine compounds with a herbicidal action BASF SE 2010-03-24 CN claimed
CN-101677540-A Herbicidally effective composition EIKE HUPE 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-101679316-A Piperazine compounds with a herbicidal action BASF SE 2010-03-24 CN disclosed
CN-101677540-A Herbicidally effective composition EIKE HUPE 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 708/4885KDM4E 4069/4885GAA 3583/4885

“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.