SCHEMBL6619282

SCHEMBL6619282

CC[C@H]([NH])c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MIF P14174 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
HTR2A P28223 4/20 0.41
HRH1 P35367 3/20 0.41
HKDC1 Q2TB90 1/20 0.41
TRPA1 O75762 1/20 0.41
AOC3 Q16853 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2321794 1.00 LMNA (0.52) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL2588402 1.00 LMNA (0.52) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL3248164 0.80 AOC3 (0.46) LMNATAAR1HTR2AHRH1AOC3
SCHEMBL11268892 0.77 ADRB2 (0.46) LMNAAOC3TDP1
SCHEMBL41745 0.77 POLB (0.45) LMNAHTR2AHRH1AOC3POLB
SCHEMBL54346 0.75 HTR2A (0.59) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL3898638 0.74 LMNA (0.52) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL7707874 0.74 TRPA1 (0.45) LMNATAAR1HTR2ATRPA1
SCHEMBL17816146 0.74 LMNA (0.52) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL2911715 0.74 TRPA1 (0.45) LMNATAAR1HTR2ATRPA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP claimed
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US claimed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US claimed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 WO claimed
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP disclosed
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US disclosed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US disclosed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 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-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 LMNA 2484/4885MIF 50/4885TAAR1 2474/4885

“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.