SCHEMBL3877553

SCHEMBL3877553

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.47
OPRD1 P41143 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPK1 P28482 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
TLR2 O60603 2/20 0.38
TLR1 Q15399 1/20 0.38
GAA P10253 1/20 0.37
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL3874177 1.00 KMT2A (0.55) KMT2AMEN1OPRD1TDP1EPHX2
SCHEMBL3874179 1.00 KMT2A (0.55) KMT2AMEN1OPRD1TDP1EPHX2
SCHEMBL3871510 0.90 KMT2A (0.49) KMT2AMEN1OPRD1TDP1EPHX2
SCHEMBL3871508 0.90 KMT2A (0.49) KMT2AMEN1OPRD1TDP1EPHX2
SCHEMBL3875609 0.80 KMT2A (0.38) KMT2AMEN1OPRD1EPHX2MAPK1
SCHEMBL3875614 0.80 KMT2A (0.38) KMT2AMEN1OPRD1EPHX2MAPK1
SCHEMBL3140809 0.76 KMT2A (0.73) KMT2AEPHX2TLR2CASP3FABP7
SCHEMBL13525077 0.76 KMT2A (0.73) KMT2AEPHX2TLR2CASP3FABP7
SCHEMBL29423575 0.76 KMT2A (0.81) KMT2AOPRD1EPHX2MDM4TP53
SCHEMBL29397906 0.76 KMT2A (0.81) KMT2AOPRD1EPHX2MDM4TP53

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 2987/4885MEN1 4445/4885OPRD1 69/4885

“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.