SCHEMBL4852557

SCHEMBL4852557

C=C1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
HTR2C P28335 1/20 0.41
GRM5 P41594 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4858347 0.89 PTGDR2 (0.42) PTGDR2ALDH1A1L3MBTL1MAPK1HTR2C
SCHEMBL4858907 0.81 HTR2C (0.43) PTGDR2ALDH1A1L3MBTL1MAPK1HTR2C
SCHEMBL4856618 0.78 HTR2C (0.44) PTGDR2ALDH1A1L3MBTL1MAPK1HTR2C
SCHEMBL4852572 0.77 HTR2C (0.43) PTGDR2ALDH1A1L3MBTL1MAPK1HTR2C
SCHEMBL14294215 0.77 HTR2C (0.42) ALDH1A1HTR2CFABP7FABP5RAB9A
Hydrochloric Acid SCHEMBL4861287 0.77 HTR2C (0.42) PTGDR2ALDH1A1HTR2CFABP7FABP5
SCHEMBL4855147 0.75 HTR2C (0.44) ALDH1A1L3MBTL1MAPK1HTR2CMEN1
SCHEMBL4855518 0.74 HTR2C (0.40) ALDH1A1HTR2CFABP7FABP5RAB9A
SCHEMBL4852539 0.74 MEN1 (0.49) ALDH1A1MAPK1HTR2CGRM5MEN1
Hydrochloric Acid SCHEMBL4857845 0.73 MEN1 (0.48) ALDH1A1MAPK1GRM5MEN1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed
EP-1427728-B1 6,7-DIHYDRO-5H-PYRAZOLO 1,2-A PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY cYTOKINES PROCTER & GAMBLE (US) 2007-03-07 EP disclosed
US-7087615-B2 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which provide analgesia THE PROCTER & GAMBLE COMPANY (US) 2006-08-08 US disclosed
EP-1427732-B1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO 1,2-A|PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2006-07-12 EP disclosed
US-20050282844-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2005-12-22 US disclosed
EP-1427732-A1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO 1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP disclosed
US-20040087639-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which provide analgesia THE PROCTER & GAMBLE COMPANY 2004-05-06 US disclosed
US-6730668-B2 PREVENTING EXTRACELLULAR RELEASE THE PROCTER & GAMBLE COMPANY 2004-05-04 US disclosed
WO-2004026878-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-a]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-04-01 WO disclosed
US-20040058944-A1 6,7-Dihydro-5H-pyrazolo[1,2a]pyrazol-1-ones whinch control inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2004-03-25 US disclosed
US-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-07-17 US disclosed
US-6566357-B1 To inhibit the extracellular release of inflammatory cytokines; therapy THE PROCTER & GAMBLE CO. 2003-05-20 US disclosed
WO-2003024973-A1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO disclosed
WO-2003024971-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 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 (5 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-20040087639-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which provide analgesia OPRK1, OPRD1, IL1B PTGDR2 195/4885ALDH1A1 474/4885L3MBTL1 3782/4885
US-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL1A, IL6 PTGDR2 280/4885ALDH1A1 87/4885L3MBTL1 4600/4885
US-20040058944-A1 6,7-Dihydro-5H-pyrazolo[1,2a]pyrazol-1-ones whinch control inflammatory cytokines IL6, IL1A, IL1B PTGDR2 720/4885ALDH1A1 272/4885L3MBTL1 3632/4885
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL6, IL1A PTGDR2 326/4885ALDH1A1 795/4885L3MBTL1 4666/4885
US-20050282844-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1A, IL6, IL1B PTGDR2 258/4885ALDH1A1 173/4885L3MBTL1 4484/4885

“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.