SCHEMBL4858347

SCHEMBL4858347

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2C P28335 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM5 P41594 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL4852557 0.89 PTGDR2 (0.41) PTGDR2MAPK1ALDH1A1L3MBTL1HTR2C
SCHEMBL4858907 0.82 HTR2C (0.43) PTGDR2MAPK1ALDH1A1L3MBTL1HTR2C
SCHEMBL4856618 0.79 HTR2C (0.44) PTGDR2MAPK1ALDH1A1L3MBTL1HTR2C
SCHEMBL4852572 0.78 HTR2C (0.43) PTGDR2MAPK1ALDH1A1L3MBTL1HTR2C
SCHEMBL14294215 0.78 HTR2C (0.42) ALDH1A1HTR2CRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL4861287 0.78 HTR2C (0.42) PTGDR2ALDH1A1HTR2CRAB9ANPC1
SCHEMBL4855518 0.75 HTR2C (0.40) ALDH1A1HTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL4852539 0.75 MEN1 (0.49) MAPK1ALDH1A1HTR2CRAB9ANPC1
SCHEMBL4850529 0.74 HTR2C (0.45) MAPK1ALDH1A1L3MBTL1HTR2CRAB9A
Hydrochloric Acid SCHEMBL4857845 0.74 MEN1 (0.48) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2

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 29 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
CN-1315834-C 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines PROCTER & GAMBLE (US) 2007-05-16 CN 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
EP-1427728-A1 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 (4 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 195/4885MAPK1 1189/4885ALDH1A1 474/4885
US-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL1A, IL6 PTGDR2 280/4885MAPK1 502/4885ALDH1A1 87/4885
US-20040058944-A1 6,7-Dihydro-5H-pyrazolo[1,2a]pyrazol-1-ones whinch control inflammatory cytokines IL6, IL1A, IL1B PTGDR2 720/4885MAPK1 880/4885ALDH1A1 272/4885
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL6, IL1A PTGDR2 326/4885MAPK1 1049/4885ALDH1A1 795/4885

“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.