SCHEMBL3871508

SCHEMBL3871508

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
OPRD1 P41143 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.37
FABP7 O15540 1/20 0.37
FABP5 Q01469 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
SCHEMBL3871510 1.00 KMT2A (0.49) KMT2AOPRD1ALDH1A1MEN1MAPK1
SCHEMBL3874177 0.90 KMT2A (0.55) KMT2AOPRD1MEN1MAPK1EPHX2
SCHEMBL3874179 0.90 KMT2A (0.55) KMT2AOPRD1MEN1MAPK1EPHX2
SCHEMBL3877553 0.90 KMT2A (0.55) KMT2AOPRD1MEN1MAPK1EPHX2
SCHEMBL3875609 0.81 KMT2A (0.38) KMT2AOPRD1ALDH1A1MEN1MAPK1
SCHEMBL3875614 0.81 KMT2A (0.38) KMT2AOPRD1ALDH1A1MEN1MAPK1
SCHEMBL31309913 0.75 KMT2A (0.62) KMT2AOPRD1EPHX2MDM4TP53
SCHEMBL31309880 0.75 KMT2A (0.62) KMT2AOPRD1EPHX2MDM4TP53
SCHEMBL31309934 0.75 KMT2A (0.62) KMT2AOPRD1EPHX2MDM4TP53
SCHEMBL1667739 0.75 KMT2A (0.62) 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 2987/4885OPRD1 69/4885ALDH1A1 628/4885

“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.