SCHEMBL3880997

SCHEMBL3880997

O=C(CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.53
ALPL P05186 2/20 0.51
CXCR6 O00574 3/20 0.50
CACNA1H O95180 1/20 0.50
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LTA4H P09960 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL3872987 1.00 MAPT (0.53) MAPTMAPK1ALPLCXCR6CACNA1H
SCHEMBL3871794 0.88 MAPT (0.52) MAPTMAPK1ALPLCXCR6ALPI
SCHEMBL3871796 0.88 MAPT (0.52) MAPTMAPK1ALPLCXCR6ALPI
SCHEMBL3870275 0.87 MAPT (0.51) MAPTMAPK1ALPLCXCR6ALPI
SCHEMBL3870270 0.87 MAPT (0.51) MAPTMAPK1ALPLCXCR6ALPI
SCHEMBL4669904 0.85 MAPT (0.52) MAPTMAPK1ALPLCXCR6ALPI
SCHEMBL4669902 0.85 MAPT (0.52) MAPTMAPK1ALPLCXCR6ALPI
SCHEMBL3869577 0.84 EPHX2 (0.60) MAPTMAPK1CXCR6L3MBTL1MEN1
SCHEMBL3872069 0.84 EPHX2 (0.60) MAPTMAPK1CXCR6L3MBTL1MEN1
SCHEMBL3872106 0.80 MCHR1 (0.61) KCNH2

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 3 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
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 MAPT 4128/4885MAPK1 730/4885ALPL 4806/4885

“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.