SCHEMBL3875609

SCHEMBL3875609

CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAOA P21397 1/20 0.37
FABP5 Q01469 3/20 0.35
FABP7 O15540 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM1 P11229 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
MAPT P10636 1/20 0.35
BCHE P06276 2/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 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
SCHEMBL3875614 1.00 KMT2A (0.38) KMT2AMAOAFABP5FABP7MEN1
SCHEMBL3871510 0.81 KMT2A (0.49) KMT2AFABP5FABP7MEN1MAPK1
SCHEMBL3871508 0.81 KMT2A (0.49) KMT2AFABP5FABP7MEN1MAPK1
SCHEMBL3874179 0.80 KMT2A (0.55) KMT2AFABP5FABP7MEN1MAPK1
SCHEMBL3874177 0.80 KMT2A (0.55) KMT2AFABP5FABP7MEN1MAPK1
SCHEMBL3877553 0.80 KMT2A (0.55) KMT2AFABP5FABP7MEN1MAPK1
SCHEMBL29649593 0.75 KMT2A (0.48) KMT2AFABP5FABP7EPHX2
SCHEMBL29397325 0.75 KMT2A (0.48) KMT2AFABP5FABP7EPHX2
SCHEMBL119579 0.75 KMT2A (0.48) KMT2AFABP5FABP7EPHX2
SCHEMBL14037416 0.75 KMT2A (0.47) KMT2AFABP5FABP7OPRD1EPHX2

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 2987/4885MAOA 4108/4885FABP5 1124/4885

“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.