SCHEMBL3870167

SCHEMBL3870167

COc1ccc(F)cc1NC(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MEN1 O00255 5/20 0.60
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.60
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.52
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PYGL P06737 1/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10747417 0.87 MAPT (0.56) KMT2AMEN1MAPTHTTCYP1A2
SCHEMBL31078153 0.85 ALDH1A1 (0.59) KMT2AMEN1MAPTHTTCYP1A2
SCHEMBL23512599 0.83 CYP1A2 (0.49) KMT2AMEN1MAPTHTTCYP1A2
SCHEMBL14053272 0.83 GAA (0.50) KMT2AMEN1MAPTHTTCYP1A2
SCHEMBL10747461 0.81 PYGL (0.56) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL167053 0.81 GAA (0.67) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL5534456 0.81 KMT2A (0.66) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL2755842 0.80 ALDH1A1 (0.77) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL3880123 0.80 MAPT (0.51) KMT2AMEN1MAPTHTTCYP1A2
SCHEMBL2795480 0.80 KMT2A (0.71) KMT2AMEN1MAPTCYP1A2ALDH1A1

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-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
CN-101228158-A N-amide derivatives of 8-azabicyclo[3.2.1]oct-3-yl as ccr1 antagonists ALMIRALL LAB (ES) 2008-07-23 CN disclosed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 KMT2A 2987/4885MEN1 4445/4885MAPT 4128/4885

“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.