SCHEMBL484566

SCHEMBL484566

O=C(O)c1ccc2c(c1)C(NCC(F)(F)F)CC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
ACHE P22303 9/20 0.40
DRD3 P35462 1/20 0.40
TBXA2R P21731 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
KDM1A O60341 1/20 0.38
WDR5 P61964 1/20 0.38
BCHE P06276 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL878683 0.90 MAOA (0.42) MAOAMAOBACHEDRD3TBXA2R
SCHEMBL484719 0.86 CHRNB2 (0.46) MAOAMAOBACHEBCHE
SCHEMBL484717 0.86 CHRNB2 (0.46) MAOAMAOBACHEBCHE
SCHEMBL784661 0.82 ACHE (0.57) MAOAMAOBACHEDRD3ALDH1A1
SCHEMBL484623 0.80 HTR1A (0.43) DRD3TBXA2RALDH1A1WDR5
SCHEMBL784108 0.80 MAOA (0.45) MAOAMAOBACHEDRD3ALDH1A1
SCHEMBL784931 0.78 WDR5 (0.43) ACHEDRD3ALDH1A1WDR5
SCHEMBL784930 0.78 WDR5 (0.43) ACHEDRD3ALDH1A1WDR5
SCHEMBL484852 0.77 ACHE (0.54) MAOAMAOBACHEDRD3ALDH1A1
SCHEMBL13131222 0.75 CA12 (0.51) ACHEDRD3ALDH1A1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN MAOA 2509/4885MAOB 2163/4885ACHE 3999/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MAOA 2509/4885MAOB 2163/4885ACHE 3999/4885

“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.