SCHEMBL3872069

SCHEMBL3872069

O=C(Cc1cccc(Cl)c1)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.60
SIGMAR1 Q99720 5/20 0.60
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
CXCR6 O00574 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
AVPR1A P37288 2/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3869577 1.00 EPHX2 (0.60) EPHX2SIGMAR1MAPTMAPK1CXCR6
SCHEMBL3869562 0.94 EPHX2 (0.54) EPHX2SIGMAR1MAPTMAPK1CXCR6
SCHEMBL3869565 0.94 EPHX2 (0.54) EPHX2SIGMAR1MAPTMAPK1CXCR6
SCHEMBL3872987 0.84 MAPT (0.53) EPHX2MAPTMAPK1CXCR6MEN1
SCHEMBL3870275 0.84 MAPT (0.51) MAPTMAPK1CXCR6MEN1KMT2A
SCHEMBL3880997 0.84 MAPT (0.53) EPHX2MAPTMAPK1CXCR6MEN1
SCHEMBL3870270 0.84 MAPT (0.51) MAPTMAPK1CXCR6MEN1KMT2A
SCHEMBL3872107 0.84 MCHR1 (0.61)
SCHEMBL3872106 0.84 MCHR1 (0.61)
SCHEMBL3870254 0.83 EPHX2 (0.63) EPHX2SIGMAR1CXCR6MEN1KMT2A

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 9 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 claimed
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 claimed
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 claimed
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 claimed
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
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 EPHX2 2154/4885SIGMAR1 180/4885MAPT 4128/4885

“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.