SCHEMBL3872034

SCHEMBL3872034

CC(C)(C)OC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BTK Q06187 1/20 0.43
EPHX1 P07099 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.38
CTSK P43235 2/20 0.38
KCNA3 P22001 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
MAPK1 P28482 1/20 0.36
CCRL2 O00421 2/20 0.35
JAK1 P23458 2/20 0.35

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
SCHEMBL3872039 1.00 KMT2A (0.45) KMT2AL3MBTL1BTKEPHX1CHRM2
SCHEMBL3873462 1.00 KMT2A (0.45) KMT2AL3MBTL1BTKEPHX1CHRM2
SCHEMBL21631816 0.86 BTK (0.55) KMT2AL3MBTL1BTKEPHX1CHRM2
SCHEMBL29498425 0.86 BTK (0.55) KMT2AL3MBTL1BTKEPHX1CHRM2
SCHEMBL13853083 0.82 CHRM1 (0.46) KMT2AL3MBTL1BTKEPHX1CHRM2
SCHEMBL4169723 0.82 CHRM1 (0.46) KMT2AL3MBTL1BTKEPHX1CHRM2
SCHEMBL13686578 0.82 CHRM1 (0.46) KMT2AL3MBTL1BTKEPHX1CHRM2
SCHEMBL12518449 0.81 EPHX1 (0.48) KMT2AL3MBTL1BTKEPHX1CHRM2
SCHEMBL2002673 0.80 EPHX1 (0.55) KMT2ABTKEPHX1MEN1ALDH1A1
SCHEMBL3876900 0.78 LMNA (0.40) KMT2AL3MBTL1MEN1ALDH1A1MAPK1

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 4 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
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
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 2987/4885L3MBTL1 2589/4885BTK 4557/4885

“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.