SCHEMBL4851295

SCHEMBL4851295

O=C(Cc1ccc(F)cc1)N1CC(N2CCOCC2)CN1C(=O)c1ccnc(Oc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.40
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
FAAH O00519 1/20 0.36
CPT1A P50416 1/20 0.36
EPHX2 P34913 1/20 0.35
SCN9A Q15858 3/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL6334129 0.89 CPT1A (0.36) LMNACPT1ASCN9AACHEALDH1A1
SCHEMBL4861342 0.87 MAPK14 (0.37) MAPK14TSHRLMNAALOX15MAPK1
SCHEMBL27537569 0.84 MAPK14 (0.41) MAPK14FAAHCPT1AEPHX2MAPT
SCHEMBL14269365 0.80 ALDH1A1 (0.44) FAAHEPHX2ALDH1A1
SCHEMBL4852539 0.74 MEN1 (0.49) TSHRLMNAALOX15MAPK1FAAH
SCHEMBL27561304 0.74 MAPK14 (0.38) MAPK14TSHRFAAHEPHX2SCN9A
Hydrochloric Acid SCHEMBL4857845 0.73 MEN1 (0.48) TSHRLMNAALOX15MAPK1FAAH
SCHEMBL4859042 0.68 MAPK14 (0.53) MAPK14
SCHEMBL4859291 0.66 USP2 (0.39) MAPK14LMNAMAPTUSP2ALDH1A1
SCHEMBL14294141 0.65 SMN1; SMN2 (0.36) USP2ALDH1A1

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 19 patents. 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
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
US-20050148610-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2005-07-07 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 (6 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 MAPK14 1966/4885TSHR 2014/4885LMNA 3643/4885
US-20050148610-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL6, IL1A, IL1B MAPK14 2019/4885TSHR 2585/4885LMNA 3675/4885
US-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL1A, IL6 MAPK14 1253/4885TSHR 3227/4885LMNA 3830/4885
US-20040058944-A1 6,7-Dihydro-5H-pyrazolo[1,2a]pyrazol-1-ones whinch control inflammatory cytokines IL6, IL1A, IL1B MAPK14 1721/4885TSHR 2914/4885LMNA 3377/4885
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL6, IL1A MAPK14 1863/4885TSHR 2337/4885LMNA 3464/4885
US-20050282844-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1A, IL6, IL1B MAPK14 1278/4885TSHR 3022/4885LMNA 3634/4885

“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.