SCHEMBL13853113

SCHEMBL13853113

O=C(CNC(=O)C1c2ccccc2CCc2ccccc21)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
GRM7 Q14831 1/20 0.42
OPRK1 P41145 1/20 0.42
CXCR6 O00574 1/20 0.42

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
SCHEMBL3869989 0.88 MAPK1 (0.46) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3869991 0.88 MAPK1 (0.46) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3871378 0.82 CCR1 (0.47) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3871380 0.82 CCR1 (0.47) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3869655 0.82 CCR2 (0.67) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3869651 0.82 CCR2 (0.67) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3869575 0.77 L3MBTL1 (0.53) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3870247 0.77 MAPT (0.52) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3869568 0.77 L3MBTL1 (0.53) CCR2MAPTMAPK1MEN1KMT2A
SCHEMBL3870250 0.77 MAPT (0.52) CCR2MAPTMAPK1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CCR2 6/4885MAPT 4128/4885MAPK1 730/4885

“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.