SCHEMBL4856626

SCHEMBL4856626

O=C(OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
OPRK1 P41145 1/20 0.40
LIPE Q05469 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM1A O60341 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2B Q13224 2/20 0.39
GRM5 P41594 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
PRSS1 P07477 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
SCHEMBL4852539 0.85 MEN1 (0.49) MEN1KMT2ANPSR1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4857845 0.85 MEN1 (0.48) MEN1KMT2ANPSR1MAPTSMN1; SMN2
SCHEMBL14294215 0.84 HTR2C (0.42) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4856618 0.82 HTR2C (0.44) SMN1; SMN2NPC1RAB9AOPRK1ALDH1A1
SCHEMBL4855518 0.82 HTR2C (0.40) SMN1; SMN2NPC1RAB9AOPRK1ALDH1A1
SCHEMBL4858907 0.81 HTR2C (0.43) MEN1KMT2ANPSR1MAPTSMN1; SMN2
SCHEMBL14219125 0.79 HTR2C (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1KDM1A
SCHEMBL16669593 0.78 MEN1 (0.76) MEN1KMT2ANPSR1MAPTSMN1; SMN2
SCHEMBL4852572 0.77 HTR2C (0.43) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4861342 0.77 MAPK14 (0.37) MEN1KMT2AMAPTFAAH

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 21 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
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
US-6960593-B2 6,7-dihydro-5H-pyrazolo[1,2a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2005-11-01 US disclosed
EP-1539761-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-A] PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2005-06-15 EP disclosed
US-6849627-B2 Including interleukin-1 and Tumor Necrosis Factor; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, septic shock, cardiopulmonary dysfunction, acute respiratory disease, and cachexia THE PROCTER & GAMBLE COMPANY (US) 2005-02-01 US 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
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 MEN1 4368/4885KMT2A 4230/4885NPSR1 102/4885
US-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL1A, IL6 MEN1 3980/4885KMT2A 4439/4885NPSR1 742/4885
US-20040058944-A1 6,7-Dihydro-5H-pyrazolo[1,2a]pyrazol-1-ones whinch control inflammatory cytokines IL6, IL1A, IL1B MEN1 4679/4885KMT2A 4260/4885NPSR1 2499/4885
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL6, IL1A MEN1 3965/4885KMT2A 4573/4885NPSR1 618/4885
US-20050282844-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1A, IL6, IL1B MEN1 3821/4885KMT2A 4472/4885NPSR1 2689/4885

“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.